summaryrefslogtreecommitdiff
path: root/science/mpqc
diff options
context:
space:
mode:
authorDmitry Marakasov <amdmi3@FreeBSD.org>2015-10-01 07:04:30 +0000
committerDmitry Marakasov <amdmi3@FreeBSD.org>2015-10-01 07:04:30 +0000
commitca3dd597967a858c4162b285b6100d52eed4a18b (patch)
tree8e90d42467b90a430456bb8e3e0f49d7bafa78cc /science/mpqc
parentUpdate to the 20150916 snapshot of GCC 4.9.4. (diff)
- Add missing manpage
- Switch to options helpers and OPTIONS_SLAVE - Sort plist - Fix stage-qa for mpqc-mpich
Notes
Notes: svn path=/head/; revision=398253
Diffstat (limited to 'science/mpqc')
-rw-r--r--science/mpqc/Makefile30
-rw-r--r--science/mpqc/pkg-plist1051
2 files changed, 538 insertions, 543 deletions
diff --git a/science/mpqc/Makefile b/science/mpqc/Makefile
index f92cffe20c51..4ce686aab203 100644
--- a/science/mpqc/Makefile
+++ b/science/mpqc/Makefile
@@ -3,7 +3,7 @@
PORTNAME= mpqc
PORTVERSION= 2.3.1
-PORTREVISION= 26
+PORTREVISION= 27
CATEGORIES= science parallel
MASTER_SITES= SF
@@ -32,8 +32,7 @@ CONFIGURE_ARGS+=--with-cc=${CC} \
--with-sc-datadir=${PREFIX}/share/mpqc/${PORTVERSION}
OPTIONS_DEFINE= DOCS ATLAS ICC MPICH OPTIFLAGS
-OPTIONS_DEFAULT= DOCS
-OPTIONS_SUB= DOCS
+OPTIONS_SUB= yes
ICC_DESC= Build with ICC compiler instead
ATLAS_DESC= Link with ATLAS instead of BLAS
@@ -49,10 +48,6 @@ DOCS_BUILD_DEPENDS= doxygen:${PORTSDIR}/devel/doxygen \
DOCS_USES= execinfo
DOCS_USE= TEX=latex:build
-.if defined(WITH_MPICH)
-OPTIONS_DEFAULT+= MPICH
-.endif
-
.include <bsd.port.options.mk>
.if ${PORT_OPTIONS:MATLAS}
@@ -86,12 +81,11 @@ CXXFLAGS+= -O2 -ffast-math
do-build:
(cd ${WRKSRC} && ${MAKE_CMD})
-.if ${PORT_OPTIONS:MDOCS}
+
+do-build-DOCS-on:
(cd ${WRKSRC}/doc && ${MAKE_CMD})
- ${RM} ${WRKSRC}/doc/man/man1/_*mpqc_*.1
- ${RM} ${WRKSRC}/doc/man/man3/_*mpqc_*.3
- ${RM} ${WRKSRC}/doc/man/man3/sc_PsiCCSD_T.3*
-.endif
+ ${RM} ${WRKSRC}/doc/man/man1/_*
+ ${RM} ${WRKSRC}/doc/man/man3/_*
do-install:
${MKDIR} ${STAGEDIR}${PREFIX}/share/mpqc/validate
@@ -101,7 +95,12 @@ do-install:
${COPYTREE_SHARE} . ${STAGEDIR}${PREFIX}/share/mpqc/validate)
(cd ${STAGEDIR}${PREFIX}/bin && ${STRIP_CMD} scpr molrender mpqc scls)
${STRIP_CMD} ${STAGEDIR}${PREFIX}/lib/*.so
-.if ${PORT_OPTIONS:MDOCS}
+ cd ${STAGEDIR}${PREFIX}; ${FIND} share/mpqc \
+ \( -type f -or -type l \) | ${SORT} >> ${TMPPLIST}
+ cd ${STAGEDIR}${PREFIX}; ${FIND} share/mpqc -type d -empty | ${SORT} -r | \
+ ${SED} -e 's/^/@dir /g' >> ${TMPPLIST}
+
+do-install-DOCS-on:
${MKDIR} ${STAGEDIR}${DOCSDIR}
(cd ${WRKSRC}/doc/man/man3 && \
${INSTALL_MAN} *3 ${STAGEDIR}${MANPREFIX}/man/man3)
@@ -113,11 +112,6 @@ do-install:
\( -type f -or -type l \) | ${SORT} >> ${TMPPLIST}
cd ${STAGEDIR}${PREFIX}; ${FIND} share/doc/mpqc -type d -empty | \
${SORT} -r | ${SED} -e 's/^/@dir /g' >> ${TMPPLIST}
-.endif
- cd ${STAGEDIR}${PREFIX}; ${FIND} share/mpqc \
- \( -type f -or -type l \) | ${SORT} >> ${TMPPLIST}
- cd ${STAGEDIR}${PREFIX}; ${FIND} share/mpqc -type d -empty | ${SORT} -r | \
- ${SED} -e 's/^/@dir /g' >> ${TMPPLIST}
validate:
(cd ${WRKSRC}/src/bin/mpqc/validate && \
diff --git a/science/mpqc/pkg-plist b/science/mpqc/pkg-plist
index e0200650462b..44068b265357 100644
--- a/science/mpqc/pkg-plist
+++ b/science/mpqc/pkg-plist
@@ -1,162 +1,14 @@
bin/ccarun
bin/chkmpqcout
-bin/sc-libtool
bin/molrender
bin/mpqc
bin/mpqcrun
bin/sc-config
+bin/sc-libtool
bin/sc-mkf77sym
bin/scls
bin/scpr
bin/tkmolrender
-include/util/options/GetLongOpt.h
-include/util/options/LIBS.h
-include/util/ref/LIBS.h
-include/util/ref/identity.h
-include/util/ref/ref.h
-include/util/ref/reftestx.h
-include/util/class/scexception.h
-include/util/container/LIBS.h
-include/util/container/avlmap.h
-include/util/container/avlset.h
-include/util/container/bitarray.h
-include/util/container/carray.h
-include/util/container/compare.h
-include/util/container/eavlmmap.h
-include/util/class/LIBS.h
-include/util/class/class.h
-include/util/class/proxy.h
-include/util/state/LIBS.h
-include/util/state/linkage.h
-include/util/state/proxy.h
-include/util/state/state.h
-include/util/state/state_bin.h
-include/util/state/state_file.h
-include/util/state/state_text.h
-include/util/state/statein.h
-include/util/state/stateio.h
-include/util/state/stateout.h
-include/util/state/translate.h
-include/util/misc/LIBS.h
-include/util/misc/autovec.h
-include/util/misc/bug.h
-include/util/misc/ccaenv.h
-include/util/misc/comptmpl.h
-include/util/misc/compute.h
-include/util/misc/exenv.h
-include/util/misc/formio.h
-include/util/misc/ieee.h
-include/util/misc/math.h
-include/util/misc/newstring.h
-include/util/misc/regtime.h
-include/util/misc/scint.h
-include/util/misc/string.h
-include/util/misc/timer.h
-include/util/misc/units.h
-include/util/keyval/LIBS.h
-include/util/keyval/ipv2.h
-include/util/keyval/ipv2_parse.h
-include/util/keyval/ipv2_scan.h
-include/util/keyval/keyval.h
-include/util/keyval/keyvalval.h
-include/util/group/LIBS.h
-include/util/group/file.h
-include/util/group/fileproc.h
-include/util/group/globcnt.h
-include/util/group/hcube.h
-include/util/group/linkage.h
-include/util/group/memamsg.h
-include/util/group/memarmci.h
-include/util/group/memiter.h
-include/util/group/memmsg.h
-include/util/group/memmtmpi.h
-include/util/group/memory.h
-include/util/group/memproc.h
-include/util/group/memrdma.h
-include/util/group/memshm.h
-include/util/group/message.h
-include/util/group/messaget.h
-include/util/group/messmpi.h
-include/util/group/messshm.h
-include/util/group/mstate.h
-include/util/group/pool.h
-include/util/group/pregtime.h
-include/util/group/rnglock.h
-include/util/group/thpthd.h
-include/util/group/thpuma.h
-include/util/group/thread.h
-include/util/group/topology.h
-include/util/render/LIBS.h
-include/util/render/algebra3.h
-include/util/render/animate.h
-include/util/render/appearance.h
-include/util/render/color.h
-include/util/render/find.h
-include/util/render/linkage.h
-include/util/render/material.h
-include/util/render/object.h
-include/util/render/oogl.h
-include/util/render/parameter.h
-include/util/render/polygons.h
-include/util/render/polylines.h
-include/util/render/polysphere.h
-include/util/render/render.h
-include/util/render/sphere.h
-include/util/render/stack.h
-include/util/render/transform.h
-include/math/scmat/LIBS.h
-include/math/scmat/abstract.h
-include/math/scmat/blkiter.h
-include/math/scmat/block.h
-include/math/scmat/blocked.h
-include/math/scmat/cmatrix.h
-include/math/scmat/dim.h
-include/math/scmat/dist.h
-include/math/scmat/disthql.h
-include/math/scmat/elemop.h
-include/math/scmat/f77sym.h
-include/math/scmat/linkage.h
-include/math/scmat/local.h
-include/math/scmat/matrix.h
-include/math/scmat/matrix3.h
-include/math/scmat/matrix_i.h
-include/math/scmat/mops.h
-include/math/scmat/offset.h
-include/math/scmat/repl.h
-include/math/scmat/result.h
-include/math/scmat/util.h
-include/math/scmat/vector3.h
-include/math/scmat/vector3_i.h
-include/math/optimize/LIBS.h
-include/math/optimize/conv.h
-include/math/optimize/diis.h
-include/math/optimize/efc.h
-include/math/optimize/function.h
-include/math/optimize/gdiis.h
-include/math/optimize/linkage.h
-include/math/optimize/mcsearch.h
-include/math/optimize/newton.h
-include/math/optimize/opt.h
-include/math/optimize/qnewton.h
-include/math/optimize/scextrap.h
-include/math/optimize/scextrapmat.h
-include/math/optimize/steep.h
-include/math/optimize/transform.h
-include/math/optimize/update.h
-include/math/isosurf/LIBS.h
-include/math/isosurf/edge.h
-include/math/isosurf/implicit.h
-include/math/isosurf/isosurf.h
-include/math/isosurf/shape.h
-include/math/isosurf/surf.h
-include/math/isosurf/triangle.h
-include/math/isosurf/tricoef.h
-include/math/isosurf/vertex.h
-include/math/isosurf/volume.h
-include/math/isosurf/volume_i.h
-include/math/symmetry/LIBS.h
-include/math/symmetry/corrtab.h
-include/math/symmetry/pointgrp.h
include/chemistry/molecule/LIBS.h
include/chemistry/molecule/atominfo.h
include/chemistry/molecule/coor.h
@@ -172,8 +24,6 @@ include/chemistry/molecule/molrender.h
include/chemistry/molecule/molshape.h
include/chemistry/molecule/simple.h
include/chemistry/molecule/taylor.h
-include/chemistry/solvent/LIBS.h
-include/chemistry/solvent/bem.h
include/chemistry/qc/basis/LIBS.h
include/chemistry/qc/basis/basis.h
include/chemistry/qc/basis/cartiter.h
@@ -214,6 +64,41 @@ include/chemistry/qc/cints/static.h
include/chemistry/qc/cints/storage.h
include/chemistry/qc/cints/tbintcints.h
include/chemistry/qc/cints/tform.h
+include/chemistry/qc/dft/LIBS.h
+include/chemistry/qc/dft/clks.h
+include/chemistry/qc/dft/clkstmpl.h
+include/chemistry/qc/dft/functional.h
+include/chemistry/qc/dft/hsosks.h
+include/chemistry/qc/dft/hsoskstmpl.h
+include/chemistry/qc/dft/integrator.h
+include/chemistry/qc/dft/linkage.h
+include/chemistry/qc/dft/uks.h
+include/chemistry/qc/dft/ukstmpl.h
+include/chemistry/qc/intv3/LIBS.h
+include/chemistry/qc/intv3/array.h
+include/chemistry/qc/intv3/cartitv3.h
+include/chemistry/qc/intv3/fjt.h
+include/chemistry/qc/intv3/flags.h
+include/chemistry/qc/intv3/int1e.h
+include/chemistry/qc/intv3/int2e.h
+include/chemistry/qc/intv3/intv3.h
+include/chemistry/qc/intv3/macros.h
+include/chemistry/qc/intv3/obintv3.h
+include/chemistry/qc/intv3/storage.h
+include/chemistry/qc/intv3/tbintv3.h
+include/chemistry/qc/intv3/tformv3.h
+include/chemistry/qc/intv3/types.h
+include/chemistry/qc/intv3/utils.h
+include/chemistry/qc/mbpt/LIBS.h
+include/chemistry/qc/mbpt/bzerofast.h
+include/chemistry/qc/mbpt/csgrad34qb.h
+include/chemistry/qc/mbpt/csgrade12.h
+include/chemistry/qc/mbpt/csgrads2pdm.h
+include/chemistry/qc/mbpt/hsosv1e1.h
+include/chemistry/qc/mbpt/linkage.h
+include/chemistry/qc/mbpt/mbpt.h
+include/chemistry/qc/mbpt/mp2extrap.h
+include/chemistry/qc/mbpt/util.h
include/chemistry/qc/mbptr12/LIBS.h
include/chemistry/qc/mbptr12/blas.h
include/chemistry/qc/mbptr12/f77sym.h
@@ -244,30 +129,12 @@ include/chemistry/qc/mbptr12/twobodygrid.h
include/chemistry/qc/mbptr12/vxb_eval_info.h
include/chemistry/qc/oint3/LIBS.h
include/chemistry/qc/oint3/build.h
-include/chemistry/qc/intv3/LIBS.h
-include/chemistry/qc/intv3/array.h
-include/chemistry/qc/intv3/cartitv3.h
-include/chemistry/qc/intv3/fjt.h
-include/chemistry/qc/intv3/flags.h
-include/chemistry/qc/intv3/int1e.h
-include/chemistry/qc/intv3/int2e.h
-include/chemistry/qc/intv3/intv3.h
-include/chemistry/qc/intv3/macros.h
-include/chemistry/qc/intv3/obintv3.h
-include/chemistry/qc/intv3/storage.h
-include/chemistry/qc/intv3/tbintv3.h
-include/chemistry/qc/intv3/tformv3.h
-include/chemistry/qc/intv3/types.h
-include/chemistry/qc/intv3/utils.h
-include/chemistry/qc/wfn/LIBS.h
-include/chemistry/qc/wfn/accum.h
-include/chemistry/qc/wfn/density.h
-include/chemistry/qc/wfn/eht.h
-include/chemistry/qc/wfn/linkage.h
-include/chemistry/qc/wfn/obwfn.h
-include/chemistry/qc/wfn/orbital.h
-include/chemistry/qc/wfn/solvent.h
-include/chemistry/qc/wfn/wfn.h
+include/chemistry/qc/psi/LIBS.h
+include/chemistry/qc/psi/linkage.h
+include/chemistry/qc/psi/psiexenv.h
+include/chemistry/qc/psi/psifile11.h
+include/chemistry/qc/psi/psiinput.h
+include/chemistry/qc/psi/psiwfn.h
include/chemistry/qc/scf/LIBS.h
include/chemistry/qc/scf/clhf.h
include/chemistry/qc/scf/clhftmpl.h
@@ -294,42 +161,175 @@ include/chemistry/qc/scf/tcscf.h
include/chemistry/qc/scf/uhf.h
include/chemistry/qc/scf/uhftmpl.h
include/chemistry/qc/scf/uscf.h
-include/chemistry/qc/dft/LIBS.h
-include/chemistry/qc/dft/clks.h
-include/chemistry/qc/dft/clkstmpl.h
-include/chemistry/qc/dft/functional.h
-include/chemistry/qc/dft/hsosks.h
-include/chemistry/qc/dft/hsoskstmpl.h
-include/chemistry/qc/dft/integrator.h
-include/chemistry/qc/dft/linkage.h
-include/chemistry/qc/dft/uks.h
-include/chemistry/qc/dft/ukstmpl.h
-include/chemistry/qc/mbpt/LIBS.h
-include/chemistry/qc/mbpt/bzerofast.h
-include/chemistry/qc/mbpt/csgrad34qb.h
-include/chemistry/qc/mbpt/csgrade12.h
-include/chemistry/qc/mbpt/csgrads2pdm.h
-include/chemistry/qc/mbpt/hsosv1e1.h
-include/chemistry/qc/mbpt/linkage.h
-include/chemistry/qc/mbpt/mbpt.h
-include/chemistry/qc/mbpt/mp2extrap.h
-include/chemistry/qc/mbpt/util.h
-include/chemistry/qc/psi/LIBS.h
-include/chemistry/qc/psi/linkage.h
-include/chemistry/qc/psi/psiexenv.h
-include/chemistry/qc/psi/psifile11.h
-include/chemistry/qc/psi/psiinput.h
-include/chemistry/qc/psi/psiwfn.h
+include/chemistry/qc/wfn/LIBS.h
+include/chemistry/qc/wfn/accum.h
+include/chemistry/qc/wfn/density.h
+include/chemistry/qc/wfn/eht.h
+include/chemistry/qc/wfn/linkage.h
+include/chemistry/qc/wfn/obwfn.h
+include/chemistry/qc/wfn/orbital.h
+include/chemistry/qc/wfn/solvent.h
+include/chemistry/qc/wfn/wfn.h
+include/chemistry/solvent/LIBS.h
+include/chemistry/solvent/bem.h
+include/math/isosurf/LIBS.h
+include/math/isosurf/edge.h
+include/math/isosurf/implicit.h
+include/math/isosurf/isosurf.h
+include/math/isosurf/shape.h
+include/math/isosurf/surf.h
+include/math/isosurf/triangle.h
+include/math/isosurf/tricoef.h
+include/math/isosurf/vertex.h
+include/math/isosurf/volume.h
+include/math/isosurf/volume_i.h
+include/math/optimize/LIBS.h
+include/math/optimize/conv.h
+include/math/optimize/diis.h
+include/math/optimize/efc.h
+include/math/optimize/function.h
+include/math/optimize/gdiis.h
+include/math/optimize/linkage.h
+include/math/optimize/mcsearch.h
+include/math/optimize/newton.h
+include/math/optimize/opt.h
+include/math/optimize/qnewton.h
+include/math/optimize/scextrap.h
+include/math/optimize/scextrapmat.h
+include/math/optimize/steep.h
+include/math/optimize/transform.h
+include/math/optimize/update.h
+include/math/scmat/LIBS.h
+include/math/scmat/abstract.h
+include/math/scmat/blkiter.h
+include/math/scmat/block.h
+include/math/scmat/blocked.h
+include/math/scmat/cmatrix.h
+include/math/scmat/dim.h
+include/math/scmat/dist.h
+include/math/scmat/disthql.h
+include/math/scmat/elemop.h
+include/math/scmat/f77sym.h
+include/math/scmat/linkage.h
+include/math/scmat/local.h
+include/math/scmat/matrix.h
+include/math/scmat/matrix3.h
+include/math/scmat/matrix_i.h
+include/math/scmat/mops.h
+include/math/scmat/offset.h
+include/math/scmat/repl.h
+include/math/scmat/result.h
+include/math/scmat/util.h
+include/math/scmat/vector3.h
+include/math/scmat/vector3_i.h
+include/math/symmetry/LIBS.h
+include/math/symmetry/corrtab.h
+include/math/symmetry/pointgrp.h
include/scconfig.h
include/scdirlist.h
+include/util/class/LIBS.h
+include/util/class/class.h
+include/util/class/proxy.h
+include/util/class/scexception.h
+include/util/container/LIBS.h
+include/util/container/avlmap.h
+include/util/container/avlset.h
+include/util/container/bitarray.h
+include/util/container/carray.h
+include/util/container/compare.h
+include/util/container/eavlmmap.h
+include/util/group/LIBS.h
+include/util/group/file.h
+include/util/group/fileproc.h
+include/util/group/globcnt.h
+include/util/group/hcube.h
+include/util/group/linkage.h
+include/util/group/memamsg.h
+include/util/group/memarmci.h
+include/util/group/memiter.h
+include/util/group/memmsg.h
+include/util/group/memmtmpi.h
+include/util/group/memory.h
+include/util/group/memproc.h
+include/util/group/memrdma.h
+include/util/group/memshm.h
+include/util/group/message.h
+include/util/group/messaget.h
+include/util/group/messmpi.h
+include/util/group/messshm.h
+include/util/group/mstate.h
+include/util/group/pool.h
+include/util/group/pregtime.h
+include/util/group/rnglock.h
+include/util/group/thpthd.h
+include/util/group/thpuma.h
+include/util/group/thread.h
+include/util/group/topology.h
+include/util/keyval/LIBS.h
+include/util/keyval/ipv2.h
+include/util/keyval/ipv2_parse.h
+include/util/keyval/ipv2_scan.h
+include/util/keyval/keyval.h
+include/util/keyval/keyvalval.h
+include/util/misc/LIBS.h
+include/util/misc/autovec.h
+include/util/misc/bug.h
+include/util/misc/ccaenv.h
+include/util/misc/comptmpl.h
+include/util/misc/compute.h
+include/util/misc/exenv.h
+include/util/misc/formio.h
+include/util/misc/ieee.h
+include/util/misc/math.h
+include/util/misc/newstring.h
+include/util/misc/regtime.h
+include/util/misc/scint.h
+include/util/misc/string.h
+include/util/misc/timer.h
+include/util/misc/units.h
+include/util/options/GetLongOpt.h
+include/util/options/LIBS.h
+include/util/ref/LIBS.h
+include/util/ref/identity.h
+include/util/ref/ref.h
+include/util/ref/reftestx.h
+include/util/render/LIBS.h
+include/util/render/algebra3.h
+include/util/render/animate.h
+include/util/render/appearance.h
+include/util/render/color.h
+include/util/render/find.h
+include/util/render/linkage.h
+include/util/render/material.h
+include/util/render/object.h
+include/util/render/oogl.h
+include/util/render/parameter.h
+include/util/render/polygons.h
+include/util/render/polylines.h
+include/util/render/polysphere.h
+include/util/render/render.h
+include/util/render/sphere.h
+include/util/render/stack.h
+include/util/render/transform.h
+include/util/state/LIBS.h
+include/util/state/linkage.h
+include/util/state/proxy.h
+include/util/state/state.h
+include/util/state/state_bin.h
+include/util/state/state_file.h
+include/util/state/state_text.h
+include/util/state/statein.h
+include/util/state/stateio.h
+include/util/state/stateout.h
+include/util/state/translate.h
lib/libSCbasis.a
lib/libSCbasis.so
lib/libSCbasis.so.7
lib/libSCbasis.so.7.1.0
+lib/libSCcints.a
lib/libSCcints.so
lib/libSCcints.so.7
lib/libSCcints.so.7.1.0
-lib/libSCcints.a
lib/libSCclass.a
lib/libSCclass.so
lib/libSCclass.so.7
@@ -362,10 +362,10 @@ lib/libSCmbpt.a
lib/libSCmbpt.so
lib/libSCmbpt.so.7
lib/libSCmbpt.so.7.1.0
+lib/libSCmbptr12.a
lib/libSCmbptr12.so
lib/libSCmbptr12.so.7
lib/libSCmbptr12.so.7.1.0
-lib/libSCmbptr12.a
lib/libSCmisc.a
lib/libSCmisc.so
lib/libSCmisc.so.7
@@ -426,333 +426,14 @@ lib/libmpqc.a
lib/libmpqc.so
lib/libmpqc.so.7
lib/libmpqc.so.7.1.0
+%%DOCS%%man/man1/molrender.1.gz
%%DOCS%%man/man1/mpqc.1.gz
%%DOCS%%man/man1/mpqcrun.1.gz
-%%DOCS%%man/man1/scls.1.gz
-%%DOCS%%man/man1/scpr.1.gz
-%%DOCS%%man/man1/molrender.1.gz
%%DOCS%%man/man1/sc-config.1.gz
%%DOCS%%man/man1/sc-libtool.1.gz
%%DOCS%%man/man1/sc-mkf77sym.1.gz
-%%DOCS%%man/man3/sc_AtomInfo.3.gz
-%%DOCS%%man/man3/sc_IntCoor.3.gz
-%%DOCS%%man/man3/sc_SumIntCoor.3.gz
-%%DOCS%%man/man3/sc_SetIntCoor.3.gz
-%%DOCS%%man/man3/sc_IntCoorGen.3.gz
-%%DOCS%%man/man3/sc_MolecularCoor.3.gz
-%%DOCS%%man/man3/sc_IntMolecularCoor.3.gz
-%%DOCS%%man/man3/sc_SymmMolecularCoor.3.gz
-%%DOCS%%man/man3/sc_RedundMolecularCoor.3.gz
-%%DOCS%%man/man3/sc_CartMolecularCoor.3.gz
-%%DOCS%%man/man3/sc_MolecularEnergy.3.gz
-%%DOCS%%man/man3/sc_FinDispMolecularHessian.3.gz
-%%DOCS%%man/man3/sc_MolecularFormula.3.gz
-%%DOCS%%man/man3/sc_MolecularHessian.3.gz
-%%DOCS%%man/man3/sc_ReadMolecularHessian.3.gz
-%%DOCS%%man/man3/sc_GuessMolecularHessian.3.gz
-%%DOCS%%man/man3/sc_DiagMolecularHessian.3.gz
-%%DOCS%%man/man3/sc_Molecule.3.gz
-%%DOCS%%man/man3/sc_MolecularFrequencies.3.gz
-%%DOCS%%man/man3/sc_VDWShape.3.gz
-%%DOCS%%man/man3/sc_DiscreteConnollyShape.3.gz
-%%DOCS%%man/man3/sc_ConnollyShape.3.gz
-%%DOCS%%man/man3/sc_SimpleCo.3.gz
-%%DOCS%%man/man3/sc_StreSimpleCo.3.gz
-%%DOCS%%man/man3/sc_BendSimpleCo.3.gz
-%%DOCS%%man/man3/sc_TorsSimpleCo.3.gz
-%%DOCS%%man/man3/sc_ScaledTorsSimpleCo.3.gz
-%%DOCS%%man/man3/sc_LinIPSimpleCo.3.gz
-%%DOCS%%man/man3/sc_LinOPSimpleCo.3.gz
-%%DOCS%%man/man3/sc_CartesianIter.3.gz
-%%DOCS%%man/man3/sc_RedundantCartesianIter.3.gz
-%%DOCS%%man/man3/sc_RedundantCartesianSubIter.3.gz
-%%DOCS%%man/man3/sc_DerivCenters.3.gz
-%%DOCS%%man/man3/sc_DistShellPair.3.gz
-%%DOCS%%man/man3/sc_DistShellPair_SharedData.3.gz
-%%DOCS%%man/man3/sc_GaussianBasisSet.3.gz
-%%DOCS%%man/man3/sc_GaussianBasisSet_ValueData.3.gz
-%%DOCS%%man/man3/sc_GaussianShell.3.gz
-%%DOCS%%man/man3/sc_canonical_aaaa.3.gz
-%%DOCS%%man/man3/sc_canonical_aabc.3.gz
-%%DOCS%%man/man3/sc_canonical_aabb.3.gz
-%%DOCS%%man/man3/sc_canonical_abcd.3.gz
-%%DOCS%%man/man3/sc_GenPetite4.3.gz
-%%DOCS%%man/man3/sc_GPetite4.3.gz
-%%DOCS%%man/man3/sc_Integral.3.gz
-%%DOCS%%man/man3/sc_OneBodyInt.3.gz
-%%DOCS%%man/man3/sc_OneBodyOneCenterInt.3.gz
-%%DOCS%%man/man3/sc_OneBodyDerivInt.3.gz
-%%DOCS%%man/man3/sc_OneBodyOneCenterDerivInt.3.gz
-%%DOCS%%man/man3/sc_OverlapOrthog.3.gz
-%%DOCS%%man/man3/sc_ShellRotation.3.gz
-%%DOCS%%man/man3/sc_SOTransformFunction.3.gz
-%%DOCS%%man/man3/sc_SOTransformShell.3.gz
-%%DOCS%%man/man3/sc_SOTransform.3.gz
-%%DOCS%%man/man3/sc_SOBasis.3.gz
-%%DOCS%%man/man3/sc_TwoBodyInt.3.gz
-%%DOCS%%man/man3/sc_TwoBodyThreeCenterInt.3.gz
-%%DOCS%%man/man3/sc_TwoBodyTwoCenterInt.3.gz
-%%DOCS%%man/man3/sc_TwoBodyDerivInt.3.gz
-%%DOCS%%man/man3/sc_TwoBodyThreeCenterDerivInt.3.gz
-%%DOCS%%man/man3/sc_TwoBodyTwoCenterDerivInt.3.gz
-%%DOCS%%man/man3/sc_SphericalTransformComponent.3.gz
-%%DOCS%%man/man3/sc_SphericalTransform.3.gz
-%%DOCS%%man/man3/sc_ISphericalTransform.3.gz
-%%DOCS%%man/man3/sc_SphericalTransformIter.3.gz
-%%DOCS%%man/man3/sc_IntegralCints.3.gz
-%%DOCS%%man/man3/sc_EriCints.3.gz
-%%DOCS%%man/man3/sc_GRTCints.3.gz
-%%DOCS%%man/man3/sc_Int1eCints.3.gz
-%%DOCS%%man/man3/sc_Int2eCints.3.gz
-%%DOCS%%man/man3/sc_OneBodyIntCints.3.gz
-%%DOCS%%man/man3/sc_PrimPairsCints.3.gz
-%%DOCS%%man/man3/sc_ShellPairCints.3.gz
-%%DOCS%%man/man3/sc_ShellPairsCints.3.gz
-%%DOCS%%man/man3/sc_TwoBodyIntCints.3.gz
-%%DOCS%%man/man3/sc_TwoBodyDerivIntCints.3.gz
-%%DOCS%%man/man3/sc_CLKS.3.gz
-%%DOCS%%man/man3/sc_PointInputData.3.gz
-%%DOCS%%man/man3/sc_PointOutputData.3.gz
-%%DOCS%%man/man3/sc_DenFunctional.3.gz
-%%DOCS%%man/man3/sc_NElFunctional.3.gz
-%%DOCS%%man/man3/sc_SumDenFunctional.3.gz
-%%DOCS%%man/man3/sc_StdDenFunctional.3.gz
-%%DOCS%%man/man3/sc_LSDACFunctional.3.gz
-%%DOCS%%man/man3/sc_PBECFunctional.3.gz
-%%DOCS%%man/man3/sc_PW91CFunctional.3.gz
-%%DOCS%%man/man3/sc_P86CFunctional.3.gz
-%%DOCS%%man/man3/sc_SlaterXFunctional.3.gz
-%%DOCS%%man/man3/sc_VWNLCFunctional.3.gz
-%%DOCS%%man/man3/sc_VWN1LCFunctional.3.gz
-%%DOCS%%man/man3/sc_VWN2LCFunctional.3.gz
-%%DOCS%%man/man3/sc_VWN3LCFunctional.3.gz
-%%DOCS%%man/man3/sc_VWN4LCFunctional.3.gz
-%%DOCS%%man/man3/sc_VWN5LCFunctional.3.gz
-%%DOCS%%man/man3/sc_PW92LCFunctional.3.gz
-%%DOCS%%man/man3/sc_PZ81LCFunctional.3.gz
-%%DOCS%%man/man3/sc_XalphaFunctional.3.gz
-%%DOCS%%man/man3/sc_Becke88XFunctional.3.gz
-%%DOCS%%man/man3/sc_LYPCFunctional.3.gz
-%%DOCS%%man/man3/sc_PW86XFunctional.3.gz
-%%DOCS%%man/man3/sc_PBEXFunctional.3.gz
-%%DOCS%%man/man3/sc_PW91XFunctional.3.gz
-%%DOCS%%man/man3/sc_mPW91XFunctional.3.gz
-%%DOCS%%man/man3/sc_G96XFunctional.3.gz
-%%DOCS%%man/man3/sc_HSOSKS.3.gz
-%%DOCS%%man/man3/sc_DenIntegrator.3.gz
-%%DOCS%%man/man3/sc_IntegrationWeight.3.gz
-%%DOCS%%man/man3/sc_BeckeIntegrationWeight.3.gz
-%%DOCS%%man/man3/sc_RadialIntegrator.3.gz
-%%DOCS%%man/man3/sc_AngularIntegrator.3.gz
-%%DOCS%%man/man3/sc_EulerMaclaurinRadialIntegrator.3.gz
-%%DOCS%%man/man3/sc_LebedevLaikovIntegrator.3.gz
-%%DOCS%%man/man3/sc_GaussLegendreAngularIntegrator.3.gz
-%%DOCS%%man/man3/sc_RadialAngularIntegrator.3.gz
-%%DOCS%%man/man3/sc_UKS.3.gz
-%%DOCS%%man/man3/sc_Int1eCCA.3.gz
-%%DOCS%%man/man3/sc_Int2eCCA.3.gz
-%%DOCS%%man/man3/sc_IntegralCCA.3.gz
-%%DOCS%%man/man3/sc_OneBodyIntCCA.3.gz
-%%DOCS%%man/man3/sc_OneBodyDerivIntCCA.3.gz
-%%DOCS%%man/man3/sc_TwoBodyIntCCA.3.gz
-%%DOCS%%man/man3/sc_TwoBodyDerivIntCCA.3.gz
-%%DOCS%%man/man3/sc_Int1eV3.3.gz
-%%DOCS%%man/man3/sc_Int2eV3.3.gz
-%%DOCS%%man/man3/sc_IntegralV3.3.gz
-%%DOCS%%man/man3/sc_OneBodyIntV3.3.gz
-%%DOCS%%man/man3/sc_OneBodyDerivIntV3.3.gz
-%%DOCS%%man/man3/sc_TwoBodyIntV3.3.gz
-%%DOCS%%man/man3/sc_TwoBodyThreeCenterIntV3.3.gz
-%%DOCS%%man/man3/sc_TwoBodyTwoCenterIntV3.3.gz
-%%DOCS%%man/man3/sc_TwoBodyDerivIntV3.3.gz
-%%DOCS%%man/man3/sc_MBPT2.3.gz
-%%DOCS%%man/man3/sc_MBPT2_R12.3.gz
-%%DOCS%%man/man3/sc_MOIndexSpace.3.gz
-%%DOCS%%man/man3/sc_MP2R12Energy.3.gz
-%%DOCS%%man/man3/sc_MOPairIter.3.gz
-%%DOCS%%man/man3/sc_SpatialMOPairIter.3.gz
-%%DOCS%%man/man3/sc_SpatialMOPairIter_eq.3.gz
-%%DOCS%%man/man3/sc_SpatialMOPairIter_neq.3.gz
-%%DOCS%%man/man3/sc_MOPairIterFactory.3.gz
-%%DOCS%%man/man3/sc_R12Amplitudes.3.gz
-%%DOCS%%man/man3/sc_R12IntsAcc.3.gz
-%%DOCS%%man/man3/sc_R12IntEval.3.gz
-%%DOCS%%man/man3/sc_MOIntsTransformFactory.3.gz
-%%DOCS%%man/man3/sc_TwoBodyMOIntsTransform_ijxy.3.gz
-%%DOCS%%man/man3/sc_TwoBodyMOIntsTransform_ikjy.3.gz
-%%DOCS%%man/man3/sc_TwoBodyMOIntsTransform_ixjy.3.gz
-%%DOCS%%man/man3/sc_TwoBodyGrid.3.gz
-%%DOCS%%man/man3/sc_TwoBodyMOIntsTransform.3.gz
-%%DOCS%%man/man3/sc_TwoBodyMOIntsTransform_MOSpaces.3.gz
-%%DOCS%%man/man3/sc_R12IntEvalInfo.3.gz
-%%DOCS%%man/man3/sc_PsiExEnv.3.gz
-%%DOCS%%man/man3/sc_PsiFile11.3.gz
-%%DOCS%%man/man3/sc_PsiInput.3.gz
-%%DOCS%%man/man3/sc_PsiWavefunction.3.gz
-%%DOCS%%man/man3/sc_PsiSCF.3.gz
-%%DOCS%%man/man3/sc_PsiCLHF.3.gz
-%%DOCS%%man/man3/sc_PsiHSOSHF.3.gz
-%%DOCS%%man/man3/sc_PsiUHF.3.gz
-%%DOCS%%man/man3/sc_PsiCCSD.3.gz
-%%DOCS%%man/man3/sc_CLHF.3.gz
-%%DOCS%%man/man3/sc_CLSCF.3.gz
-%%DOCS%%man/man3/sc_HSOSHF.3.gz
-%%DOCS%%man/man3/sc_HSOSSCF.3.gz
-%%DOCS%%man/man3/sc_SCF.3.gz
-%%DOCS%%man/man3/sc_UHF.3.gz
-%%DOCS%%man/man3/sc_UnrestrictedSCF.3.gz
-%%DOCS%%man/man3/sc_ElectronDensity.3.gz
-%%DOCS%%man/man3/sc_BatchElectronDensity.3.gz
-%%DOCS%%man/man3/sc_OneBodyWavefunction.3.gz
-%%DOCS%%man/man3/sc_Wavefunction.3.gz
-%%DOCS%%man/man3/sc_Shape.3.gz
-%%DOCS%%man/man3/sc_UnionShape.3.gz
-%%DOCS%%man/man3/sc_Volume.3.gz
-%%DOCS%%man/man3/sc_Convergence.3.gz
-%%DOCS%%man/man3/sc_DIIS.3.gz
-%%DOCS%%man/man3/sc_EFCOpt.3.gz
-%%DOCS%%man/man3/sc_Function.3.gz
-%%DOCS%%man/man3/sc_MCSearch.3.gz
-%%DOCS%%man/man3/sc_Optimize.3.gz
-%%DOCS%%man/man3/sc_LineOpt.3.gz
-%%DOCS%%man/man3/sc_QNewtonOpt.3.gz
-%%DOCS%%man/man3/sc_SCExtrapData.3.gz
-%%DOCS%%man/man3/sc_SCExtrapError.3.gz
-%%DOCS%%man/man3/sc_SelfConsistentExtrapolation.3.gz
-%%DOCS%%man/man3/sc_HessianUpdate.3.gz
-%%DOCS%%man/man3/sc_NonlinearTransform.3.gz
-%%DOCS%%man/man3/sc_IdentityTransform.3.gz
-%%DOCS%%man/man3/sc_DFPUpdate.3.gz
-%%DOCS%%man/man3/sc_BFGSUpdate.3.gz
-%%DOCS%%man/man3/sc_PowellUpdate.3.gz
-%%DOCS%%man/man3/sc_SCMatrixKit.3.gz
-%%DOCS%%man/man3/sc_SCVector.3.gz
-%%DOCS%%man/man3/sc_SCMatrix.3.gz
-%%DOCS%%man/man3/sc_SymmSCMatrix.3.gz
-%%DOCS%%man/man3/sc_DiagSCMatrix.3.gz
-%%DOCS%%man/man3/sc_SCMatrixBlockIter.3.gz
-%%DOCS%%man/man3/sc_SCMatrixBlock.3.gz
-%%DOCS%%man/man3/sc_SCVectorSimpleBlock.3.gz
-%%DOCS%%man/man3/sc_SCVectorSimpleSubBlock.3.gz
-%%DOCS%%man/man3/sc_SCMatrixRectBlock.3.gz
-%%DOCS%%man/man3/sc_SCMatrixRectSubBlock.3.gz
-%%DOCS%%man/man3/sc_SCMatrixLTriBlock.3.gz
-%%DOCS%%man/man3/sc_SCMatrixLTriSubBlock.3.gz
-%%DOCS%%man/man3/sc_SCMatrixDiagBlock.3.gz
-%%DOCS%%man/man3/sc_SCMatrixDiagSubBlock.3.gz
-%%DOCS%%man/man3/sc_SCMatrixSubblockIter.3.gz
-%%DOCS%%man/man3/sc_SCBlockInfo.3.gz
-%%DOCS%%man/man3/sc_SCDimension.3.gz
-%%DOCS%%man/man3/sc_RefSCDimension.3.gz
-%%DOCS%%man/man3/sc_DistSCMatrixKit.3.gz
-%%DOCS%%man/man3/sc_SCElementOp.3.gz
-%%DOCS%%man/man3/sc_SCElementOp2.3.gz
-%%DOCS%%man/man3/sc_SCElementOp3.3.gz
-%%DOCS%%man/man3/sc_SCElementKNorm.3.gz
-%%DOCS%%man/man3/sc_LocalSCMatrixKit.3.gz
-%%DOCS%%man/man3/sc_RefSCVector.3.gz
-%%DOCS%%man/man3/sc_RefSCMatrix.3.gz
-%%DOCS%%man/man3/sc_RefSymmSCMatrix.3.gz
-%%DOCS%%man/man3/sc_SymRep.3.gz
-%%DOCS%%man/man3/sc_RefDiagSCMatrix.3.gz
-%%DOCS%%man/man3/sc_ReplSCMatrixKit.3.gz
-%%DOCS%%man/man3/sc_CorrelationTable.3.gz
-%%DOCS%%man/man3/sc_SymmetryOperation.3.gz
-%%DOCS%%man/man3/sc_IrreducibleRepresentation.3.gz
-%%DOCS%%man/man3/sc_CharacterTable.3.gz
-%%DOCS%%man/man3/sc_PointGroup.3.gz
-%%DOCS%%man/man3/sc_ParentClass.3.gz
-%%DOCS%%man/man3/sc_ParentClasses.3.gz
-%%DOCS%%man/man3/sc_ClassDesc.3.gz
-%%DOCS%%man/man3/sc_DescribedClass.3.gz
-%%DOCS%%man/man3/sc_ForceLinkBase.3.gz
-%%DOCS%%man/man3/sc_ForceLink.3.gz
-%%DOCS%%man/man3/sc_SCException.3.gz
-%%DOCS%%man/man3/sc_ProgrammingError.3.gz
-%%DOCS%%man/man3/sc_FeatureNotImplemented.3.gz
-%%DOCS%%man/man3/sc_InputError.3.gz
-%%DOCS%%man/man3/sc_SystemException.3.gz
-%%DOCS%%man/man3/sc_MemAllocFailed.3.gz
-%%DOCS%%man/man3/sc_FileOperationFailed.3.gz
-%%DOCS%%man/man3/sc_SyscallFailed.3.gz
-%%DOCS%%man/man3/sc_AlgorithmException.3.gz
-%%DOCS%%man/man3/sc_MaxIterExceeded.3.gz
-%%DOCS%%man/man3/sc_ToleranceExceeded.3.gz
-%%DOCS%%man/man3/sc_LimitExceeded.3.gz
-%%DOCS%%man/man3/sc_FileGrp.3.gz
-%%DOCS%%man/man3/sc_ProcFileGrp.3.gz
-%%DOCS%%man/man3/sc_ActiveMsgMemoryGrp.3.gz
-%%DOCS%%man/man3/sc_ARMCIMemoryGrp.3.gz
-%%DOCS%%man/man3/sc_MsgMemoryGrp.3.gz
-%%DOCS%%man/man3/sc_MTMPIMemoryGrp.3.gz
-%%DOCS%%man/man3/sc_MemoryGrp.3.gz
-%%DOCS%%man/man3/sc_MemoryGrpBuf.3.gz
-%%DOCS%%man/man3/sc_ProcMemoryGrp.3.gz
-%%DOCS%%man/man3/sc_RDMAMemoryGrp.3.gz
-%%DOCS%%man/man3/sc_ShmMemoryGrp.3.gz
-%%DOCS%%man/man3/sc_MessageGrp.3.gz
-%%DOCS%%man/man3/sc_ProcMessageGrp.3.gz
-%%DOCS%%man/man3/sc_intMessageGrp.3.gz
-%%DOCS%%man/man3/sc_MPIMessageGrp.3.gz
-%%DOCS%%man/man3/sc_ShmMessageGrp.3.gz
-%%DOCS%%man/man3/sc_MsgStateSend.3.gz
-%%DOCS%%man/man3/sc_MsgStateBufRecv.3.gz
-%%DOCS%%man/man3/sc_MsgStateRecv.3.gz
-%%DOCS%%man/man3/sc_StateSend.3.gz
-%%DOCS%%man/man3/sc_StateRecv.3.gz
-%%DOCS%%man/man3/sc_BcastStateSend.3.gz
-%%DOCS%%man/man3/sc_BcastStateRecv.3.gz
-%%DOCS%%man/man3/sc_BcastState.3.gz
-%%DOCS%%man/man3/sc_BcastStateInBin.3.gz
-%%DOCS%%man/man3/sc_PthreadThreadGrp.3.gz
-%%DOCS%%man/man3/sc_PumaThreadGrp.3.gz
-%%DOCS%%man/man3/sc_ThreadLock.3.gz
-%%DOCS%%man/man3/sc_ThreadLockHolder.3.gz
-%%DOCS%%man/man3/sc_Thread.3.gz
-%%DOCS%%man/man3/sc_ThreadGrp.3.gz
-%%DOCS%%man/man3/sc_ProcThreadGrp.3.gz
-%%DOCS%%man/man3/sc_KeyVal.3.gz
-%%DOCS%%man/man3/sc_AssignedKeyVal.3.gz
-%%DOCS%%man/man3/sc_StringKeyVal.3.gz
-%%DOCS%%man/man3/sc_AggregateKeyVal.3.gz
-%%DOCS%%man/man3/sc_PrefixKeyVal.3.gz
-%%DOCS%%man/man3/sc_ParsedKeyVal.3.gz
-%%DOCS%%man/man3/sc_auto_vec.3.gz
-%%DOCS%%man/man3/sc_Debugger.3.gz
-%%DOCS%%man/man3/sc_CCAEnv.3.gz
-%%DOCS%%man/man3/sc_Result.3.gz
-%%DOCS%%man/man3/sc_NCResult.3.gz
-%%DOCS%%man/man3/sc_AccResult.3.gz
-%%DOCS%%man/man3/sc_SSAccResult.3.gz
-%%DOCS%%man/man3/sc_NCAccResult.3.gz
-%%DOCS%%man/man3/sc_Compute.3.gz
-%%DOCS%%man/man3/sc_ResultInfo.3.gz
-%%DOCS%%man/man3/sc_AccResultInfo.3.gz
-%%DOCS%%man/man3/sc_ExEnv.3.gz
-%%DOCS%%man/man3/sc_SCFormIO.3.gz
-%%DOCS%%man/man3/sc_scprintf.3.gz
-%%DOCS%%man/man3/sc_RegionTimer.3.gz
-%%DOCS%%man/man3/sc_Timer.3.gz
-%%DOCS%%man/man3/sc_Units.3.gz
-%%DOCS%%man/man3/sc_Identifier.3.gz
-%%DOCS%%man/man3/sc_Identity.3.gz
-%%DOCS%%man/man3/sc_RefCount.3.gz
-%%DOCS%%man/man3/sc_RefBase.3.gz
-%%DOCS%%man/man3/sc_Ref.3.gz
-%%DOCS%%man/man3/sc_SavableStateProxy.3.gz
-%%DOCS%%man/man3/sc_SavableState.3.gz
-%%DOCS%%man/man3/sc_StateOutBin.3.gz
-%%DOCS%%man/man3/sc_StateInBin.3.gz
-%%DOCS%%man/man3/sc_StateOutFile.3.gz
-%%DOCS%%man/man3/sc_StateInFile.3.gz
-%%DOCS%%man/man3/sc_StateOutText.3.gz
-%%DOCS%%man/man3/sc_StateInText.3.gz
-%%DOCS%%man/man3/sc_StateIn.3.gz
-%%DOCS%%man/man3/sc_StateOut.3.gz
-%%DOCS%%man/man3/sc_TranslateData.3.gz
-%%DOCS%%man/man3/sc_TranslateDataByteSwap.3.gz
-%%DOCS%%man/man3/sc_TranslateDataOut.3.gz
-%%DOCS%%man/man3/sc_TranslateDataIn.3.gz
+%%DOCS%%man/man1/scls.1.gz
+%%DOCS%%man/man1/scpr.1.gz
%%DOCS%%man/man3/LocalHSOSContribution.3.gz
%%DOCS%%man/man3/LocalHSOSEnergyContribution.3.gz
%%DOCS%%man/man3/LocalHSOSGradContribution.3.gz
@@ -767,22 +448,40 @@ lib/libmpqc.so.7.1.0
%%DOCS%%man/man3/errno_exception.3.gz
%%DOCS%%man/man3/point.3.gz
%%DOCS%%man/man3/sc_ALevelShift.3.gz
+%%DOCS%%man/man3/sc_ARMCIMemoryGrp.3.gz
%%DOCS%%man/man3/sc_AVLMap.3.gz
%%DOCS%%man/man3/sc_AVLMapNode.3.gz
%%DOCS%%man/man3/sc_AVLMap_iterator.3.gz
%%DOCS%%man/man3/sc_AVLSet.3.gz
%%DOCS%%man/man3/sc_AVLSet_iterator.3.gz
+%%DOCS%%man/man3/sc_AccResult.3.gz
+%%DOCS%%man/man3/sc_AccResultInfo.3.gz
%%DOCS%%man/man3/sc_AccumEffectiveH.3.gz
%%DOCS%%man/man3/sc_AccumH.3.gz
%%DOCS%%man/man3/sc_AccumHNull.3.gz
+%%DOCS%%man/man3/sc_ActiveMsgMemoryGrp.3.gz
+%%DOCS%%man/man3/sc_AggregateKeyVal.3.gz
+%%DOCS%%man/man3/sc_AlgorithmException.3.gz
+%%DOCS%%man/man3/sc_AngularIntegrator.3.gz
%%DOCS%%man/man3/sc_AnimatedObject.3.gz
%%DOCS%%man/man3/sc_Appearance.3.gz
+%%DOCS%%man/man3/sc_AssignedKeyVal.3.gz
+%%DOCS%%man/man3/sc_AtomInfo.3.gz
%%DOCS%%man/man3/sc_AtomProximityColorizer.3.gz
%%DOCS%%man/man3/sc_BEMSolvent.3.gz
%%DOCS%%man/man3/sc_BEMSolventH.3.gz
+%%DOCS%%man/man3/sc_BFGSUpdate.3.gz
%%DOCS%%man/man3/sc_BLevelShift.3.gz
%%DOCS%%man/man3/sc_Backtrack.3.gz
%%DOCS%%man/man3/sc_BasisFileSet.3.gz
+%%DOCS%%man/man3/sc_BatchElectronDensity.3.gz
+%%DOCS%%man/man3/sc_BcastState.3.gz
+%%DOCS%%man/man3/sc_BcastStateInBin.3.gz
+%%DOCS%%man/man3/sc_BcastStateRecv.3.gz
+%%DOCS%%man/man3/sc_BcastStateSend.3.gz
+%%DOCS%%man/man3/sc_Becke88XFunctional.3.gz
+%%DOCS%%man/man3/sc_BeckeIntegrationWeight.3.gz
+%%DOCS%%man/man3/sc_BendSimpleCo.3.gz
%%DOCS%%man/man3/sc_BiggestContribs.3.gz
%%DOCS%%man/man3/sc_BitArrayLTri.3.gz
%%DOCS%%man/man3/sc_BlockedDiagSCMatrix.3.gz
@@ -794,41 +493,86 @@ lib/libmpqc.so.7.1.0
%%DOCS%%man/man3/sc_BlockedSCVector.3.gz
%%DOCS%%man/man3/sc_BlockedSymmSCMatrix.3.gz
%%DOCS%%man/man3/sc_BuildIntV3.3.gz
+%%DOCS%%man/man3/sc_CCAEnv.3.gz
+%%DOCS%%man/man3/sc_CLHF.3.gz
+%%DOCS%%man/man3/sc_CLKS.3.gz
+%%DOCS%%man/man3/sc_CLSCF.3.gz
%%DOCS%%man/man3/sc_CS2Sphere.3.gz
%%DOCS%%man/man3/sc_CSGrad34Qbtr.3.gz
%%DOCS%%man/man3/sc_CSGradErep12Qtr.3.gz
%%DOCS%%man/man3/sc_CSGradS2PDM.3.gz
+%%DOCS%%man/man3/sc_CartMolecularCoor.3.gz
+%%DOCS%%man/man3/sc_CartesianIter.3.gz
%%DOCS%%man/man3/sc_CartesianIterCCA.3.gz
%%DOCS%%man/man3/sc_CartesianIterCints.3.gz
%%DOCS%%man/man3/sc_CartesianIterV3.3.gz
+%%DOCS%%man/man3/sc_CharacterTable.3.gz
+%%DOCS%%man/man3/sc_ClassDesc.3.gz
%%DOCS%%man/man3/sc_Color.3.gz
+%%DOCS%%man/man3/sc_Compute.3.gz
+%%DOCS%%man/man3/sc_ConnollyShape.3.gz
+%%DOCS%%man/man3/sc_Convergence.3.gz
+%%DOCS%%man/man3/sc_CorrelationTable.3.gz
+%%DOCS%%man/man3/sc_DFPUpdate.3.gz
+%%DOCS%%man/man3/sc_DIIS.3.gz
+%%DOCS%%man/man3/sc_Debugger.3.gz
+%%DOCS%%man/man3/sc_DenFunctional.3.gz
+%%DOCS%%man/man3/sc_DenIntegrator.3.gz
%%DOCS%%man/man3/sc_DensityColorizer.3.gz
+%%DOCS%%man/man3/sc_DerivCenters.3.gz
+%%DOCS%%man/man3/sc_DescribedClass.3.gz
%%DOCS%%man/man3/sc_DescribedClassProxy.3.gz
%%DOCS%%man/man3/sc_DescribedMemberDatum.3.gz
+%%DOCS%%man/man3/sc_DiagMolecularHessian.3.gz
+%%DOCS%%man/man3/sc_DiagSCMatrix.3.gz
%%DOCS%%man/man3/sc_DiagSCMatrixdouble.3.gz
%%DOCS%%man/man3/sc_DipoleData.3.gz
%%DOCS%%man/man3/sc_DipoleIntV3.3.gz
+%%DOCS%%man/man3/sc_DiscreteConnollyShape.3.gz
%%DOCS%%man/man3/sc_DistDiagSCMatrix.3.gz
%%DOCS%%man/man3/sc_DistSCMatrix.3.gz
+%%DOCS%%man/man3/sc_DistSCMatrixKit.3.gz
%%DOCS%%man/man3/sc_DistSCMatrixListSubblockIter.3.gz
%%DOCS%%man/man3/sc_DistSCVector.3.gz
+%%DOCS%%man/man3/sc_DistShellPair.3.gz
+%%DOCS%%man/man3/sc_DistShellPair_SharedData.3.gz
%%DOCS%%man/man3/sc_DistSymmSCMatrix.3.gz
%%DOCS%%man/man3/sc_EAVLMMap.3.gz
%%DOCS%%man/man3/sc_EAVLMMapNode.3.gz
%%DOCS%%man/man3/sc_EAVLMMap_iterator.3.gz
+%%DOCS%%man/man3/sc_EFCOpt.3.gz
%%DOCS%%man/man3/sc_Edge.3.gz
%%DOCS%%man/man3/sc_EfieldDotVectorData.3.gz
%%DOCS%%man/man3/sc_EfieldDotVectorIntV3.3.gz
+%%DOCS%%man/man3/sc_ElectronDensity.3.gz
+%%DOCS%%man/man3/sc_EriCints.3.gz
+%%DOCS%%man/man3/sc_EulerMaclaurinRadialIntegrator.3.gz
+%%DOCS%%man/man3/sc_ExEnv.3.gz
%%DOCS%%man/man3/sc_ExtendedHuckelWfn.3.gz
%%DOCS%%man/man3/sc_ExtentData.3.gz
%%DOCS%%man/man3/sc_FJT.3.gz
+%%DOCS%%man/man3/sc_FeatureNotImplemented.3.gz
+%%DOCS%%man/man3/sc_FileGrp.3.gz
+%%DOCS%%man/man3/sc_FileOperationFailed.3.gz
%%DOCS%%man/man3/sc_FileRender.3.gz
+%%DOCS%%man/man3/sc_FinDispMolecularHessian.3.gz
+%%DOCS%%man/man3/sc_ForceLink.3.gz
+%%DOCS%%man/man3/sc_ForceLinkBase.3.gz
%%DOCS%%man/man3/sc_FreeData.3.gz
+%%DOCS%%man/man3/sc_Function.3.gz
+%%DOCS%%man/man3/sc_G96XFunctional.3.gz
%%DOCS%%man/man3/sc_GBuild.3.gz
%%DOCS%%man/man3/sc_GDIISOpt.3.gz
+%%DOCS%%man/man3/sc_GPetite4.3.gz
+%%DOCS%%man/man3/sc_GRTCints.3.gz
%%DOCS%%man/man3/sc_GSGeneralEffH.3.gz
%%DOCS%%man/man3/sc_GSHighSpinEffH.3.gz
+%%DOCS%%man/man3/sc_GaussLegendreAngularIntegrator.3.gz
%%DOCS%%man/man3/sc_GaussTriangleIntegrator.3.gz
+%%DOCS%%man/man3/sc_GaussianBasisSet.3.gz
+%%DOCS%%man/man3/sc_GaussianBasisSet_ValueData.3.gz
+%%DOCS%%man/man3/sc_GaussianShell.3.gz
+%%DOCS%%man/man3/sc_GenPetite4.3.gz
%%DOCS%%man/man3/sc_GetLongOpt.3.gz
%%DOCS%%man/man3/sc_GlobalCounter.3.gz
%%DOCS%%man/man3/sc_GlobalMsgIter.3.gz
@@ -842,16 +586,35 @@ lib/libmpqc.so.7.1.0
%%DOCS%%man/man3/sc_GrpProductReduce.3.gz
%%DOCS%%man/man3/sc_GrpReduce.3.gz
%%DOCS%%man/man3/sc_GrpSumReduce.3.gz
+%%DOCS%%man/man3/sc_GuessMolecularHessian.3.gz
%%DOCS%%man/man3/sc_HCoreWfn.3.gz
+%%DOCS%%man/man3/sc_HSOSHF.3.gz
+%%DOCS%%man/man3/sc_HSOSKS.3.gz
+%%DOCS%%man/man3/sc_HSOSSCF.3.gz
%%DOCS%%man/man3/sc_HSOSV1Erep1Qtr.3.gz
+%%DOCS%%man/man3/sc_HessianUpdate.3.gz
%%DOCS%%man/man3/sc_HypercubeGMI.3.gz
%%DOCS%%man/man3/sc_HypercubeTopology.3.gz
%%DOCS%%man/man3/sc_IPV2.3.gz
+%%DOCS%%man/man3/sc_ISphericalTransform.3.gz
%%DOCS%%man/man3/sc_ISphericalTransformCCA.3.gz
%%DOCS%%man/man3/sc_ISphericalTransformCints.3.gz
%%DOCS%%man/man3/sc_ISphericalTransformV3.3.gz
+%%DOCS%%man/man3/sc_Identifier.3.gz
+%%DOCS%%man/man3/sc_Identity.3.gz
+%%DOCS%%man/man3/sc_IdentityTransform.3.gz
%%DOCS%%man/man3/sc_ImplicitSurfacePolygonizer.3.gz
+%%DOCS%%man/man3/sc_InputError.3.gz
+%%DOCS%%man/man3/sc_Int1eCCA.3.gz
+%%DOCS%%man/man3/sc_Int1eCints.3.gz
+%%DOCS%%man/man3/sc_Int1eV3.3.gz
+%%DOCS%%man/man3/sc_Int2eCCA.3.gz
+%%DOCS%%man/man3/sc_Int2eCints.3.gz
+%%DOCS%%man/man3/sc_Int2eV3.3.gz
%%DOCS%%man/man3/sc_Int2eV3_store_list.3.gz
+%%DOCS%%man/man3/sc_IntCoor.3.gz
+%%DOCS%%man/man3/sc_IntCoorGen.3.gz
+%%DOCS%%man/man3/sc_IntMolecularCoor.3.gz
%%DOCS%%man/man3/sc_IntV3Arraydouble2.3.gz
%%DOCS%%man/man3/sc_IntV3Arraydouble3.3.gz
%%DOCS%%man/man3/sc_IntV3Arraydoublep2.3.gz
@@ -859,10 +622,17 @@ lib/libmpqc.so.7.1.0
%%DOCS%%man/man3/sc_IntV3Arraydoublep4.3.gz
%%DOCS%%man/man3/sc_IntV3Arrayint3.3.gz
%%DOCS%%man/man3/sc_IntV3Arrayint4.3.gz
+%%DOCS%%man/man3/sc_Integral.3.gz
+%%DOCS%%man/man3/sc_IntegralCCA.3.gz
+%%DOCS%%man/man3/sc_IntegralCints.3.gz
%%DOCS%%man/man3/sc_IntegralKey.3.gz
%%DOCS%%man/man3/sc_IntegralLink.3.gz
%%DOCS%%man/man3/sc_IntegralStorer.3.gz
+%%DOCS%%man/man3/sc_IntegralV3.3.gz
+%%DOCS%%man/man3/sc_IntegrationWeight.3.gz
+%%DOCS%%man/man3/sc_IrreducibleRepresentation.3.gz
%%DOCS%%man/man3/sc_IsosurfaceGen.3.gz
+%%DOCS%%man/man3/sc_KeyVal.3.gz
%%DOCS%%man/man3/sc_KeyValValue.3.gz
%%DOCS%%man/man3/sc_KeyValValueRefDescribedClass.3.gz
%%DOCS%%man/man3/sc_KeyValValueString.3.gz
@@ -874,9 +644,16 @@ lib/libmpqc.so.7.1.0
%%DOCS%%man/man3/sc_KeyValValuepchar.3.gz
%%DOCS%%man/man3/sc_KeyValValuesize.3.gz
%%DOCS%%man/man3/sc_KeyValValuestring.3.gz
+%%DOCS%%man/man3/sc_LSDACFunctional.3.gz
+%%DOCS%%man/man3/sc_LYPCFunctional.3.gz
+%%DOCS%%man/man3/sc_LebedevLaikovIntegrator.3.gz
%%DOCS%%man/man3/sc_LevelShift.3.gz
%%DOCS%%man/man3/sc_LibintStaticInterface.3.gz
%%DOCS%%man/man3/sc_Libr12StaticInterface.3.gz
+%%DOCS%%man/man3/sc_LimitExceeded.3.gz
+%%DOCS%%man/man3/sc_LinIPSimpleCo.3.gz
+%%DOCS%%man/man3/sc_LinOPSimpleCo.3.gz
+%%DOCS%%man/man3/sc_LineOpt.3.gz
%%DOCS%%man/man3/sc_LocalCLHFContribution.3.gz
%%DOCS%%man/man3/sc_LocalCLHFEnergyContribution.3.gz
%%DOCS%%man/man3/sc_LocalCLHFGradContribution.3.gz
@@ -891,6 +668,7 @@ lib/libmpqc.so.7.1.0
%%DOCS%%man/man3/sc_LocalOSSEnergyContribution.3.gz
%%DOCS%%man/man3/sc_LocalOSSGradContribution.3.gz
%%DOCS%%man/man3/sc_LocalSCMatrix.3.gz
+%%DOCS%%man/man3/sc_LocalSCMatrixKit.3.gz
%%DOCS%%man/man3/sc_LocalSCVector.3.gz
%%DOCS%%man/man3/sc_LocalSymmSCMatrix.3.gz
%%DOCS%%man/man3/sc_LocalTBGrad.3.gz
@@ -902,52 +680,148 @@ lib/libmpqc.so.7.1.0
%%DOCS%%man/man3/sc_LocalUHFGradContribution.3.gz
%%DOCS%%man/man3/sc_LocalUKSContribution.3.gz
%%DOCS%%man/man3/sc_LocalUKSEnergyContribution.3.gz
+%%DOCS%%man/man3/sc_MBPT2.3.gz
+%%DOCS%%man/man3/sc_MBPT2_R12.3.gz
+%%DOCS%%man/man3/sc_MCSearch.3.gz
+%%DOCS%%man/man3/sc_MOIndexSpace.3.gz
+%%DOCS%%man/man3/sc_MOIntsTransformFactory.3.gz
%%DOCS%%man/man3/sc_MOLagrangian.3.gz
+%%DOCS%%man/man3/sc_MOPairIter.3.gz
+%%DOCS%%man/man3/sc_MOPairIterFactory.3.gz
%%DOCS%%man/man3/sc_MP2BasisExtrap.3.gz
+%%DOCS%%man/man3/sc_MP2R12Energy.3.gz
+%%DOCS%%man/man3/sc_MPIMessageGrp.3.gz
+%%DOCS%%man/man3/sc_MTMPIMemoryGrp.3.gz
%%DOCS%%man/man3/sc_MachineTopology.3.gz
%%DOCS%%man/man3/sc_Material.3.gz
+%%DOCS%%man/man3/sc_MaxIterExceeded.3.gz
+%%DOCS%%man/man3/sc_MemAllocFailed.3.gz
%%DOCS%%man/man3/sc_MemoryDataRequest.3.gz
%%DOCS%%man/man3/sc_MemoryDataRequestQueue.3.gz
+%%DOCS%%man/man3/sc_MemoryGrp.3.gz
+%%DOCS%%man/man3/sc_MemoryGrpBuf.3.gz
%%DOCS%%man/man3/sc_MemoryIter.3.gz
+%%DOCS%%man/man3/sc_MessageGrp.3.gz
%%DOCS%%man/man3/sc_MolEnergyConvergence.3.gz
%%DOCS%%man/man3/sc_MolFreqAnimate.3.gz
+%%DOCS%%man/man3/sc_MolecularCoor.3.gz
+%%DOCS%%man/man3/sc_MolecularEnergy.3.gz
+%%DOCS%%man/man3/sc_MolecularFormula.3.gz
+%%DOCS%%man/man3/sc_MolecularFrequencies.3.gz
+%%DOCS%%man/man3/sc_MolecularHessian.3.gz
+%%DOCS%%man/man3/sc_Molecule.3.gz
%%DOCS%%man/man3/sc_MoleculeColorizer.3.gz
+%%DOCS%%man/man3/sc_MsgMemoryGrp.3.gz
+%%DOCS%%man/man3/sc_MsgStateBufRecv.3.gz
+%%DOCS%%man/man3/sc_MsgStateRecv.3.gz
+%%DOCS%%man/man3/sc_MsgStateSend.3.gz
+%%DOCS%%man/man3/sc_NCAccResult.3.gz
+%%DOCS%%man/man3/sc_NCResult.3.gz
+%%DOCS%%man/man3/sc_NElFunctional.3.gz
%%DOCS%%man/man3/sc_NewP86CFunctional.3.gz
%%DOCS%%man/man3/sc_NewtonOpt.3.gz
+%%DOCS%%man/man3/sc_NonlinearTransform.3.gz
%%DOCS%%man/man3/sc_NonreentrantUncappedTorusHoleShape.3.gz
%%DOCS%%man/man3/sc_OOGLRender.3.gz
%%DOCS%%man/man3/sc_OSSHF.3.gz
%%DOCS%%man/man3/sc_OSSSCF.3.gz
%%DOCS%%man/man3/sc_OneBody3IntOp.3.gz
+%%DOCS%%man/man3/sc_OneBodyDerivInt.3.gz
+%%DOCS%%man/man3/sc_OneBodyDerivIntCCA.3.gz
+%%DOCS%%man/man3/sc_OneBodyDerivIntV3.3.gz
+%%DOCS%%man/man3/sc_OneBodyInt.3.gz
+%%DOCS%%man/man3/sc_OneBodyIntCCA.3.gz
+%%DOCS%%man/man3/sc_OneBodyIntCints.3.gz
%%DOCS%%man/man3/sc_OneBodyIntIter.3.gz
%%DOCS%%man/man3/sc_OneBodyIntOp.3.gz
+%%DOCS%%man/man3/sc_OneBodyIntV3.3.gz
+%%DOCS%%man/man3/sc_OneBodyOneCenterDerivInt.3.gz
+%%DOCS%%man/man3/sc_OneBodyOneCenterInt.3.gz
%%DOCS%%man/man3/sc_OneBodyOneCenterWrapper.3.gz
%%DOCS%%man/man3/sc_OneBodySOInt.3.gz
+%%DOCS%%man/man3/sc_OneBodyWavefunction.3.gz
+%%DOCS%%man/man3/sc_Optimize.3.gz
%%DOCS%%man/man3/sc_Orbital.3.gz
%%DOCS%%man/man3/sc_OutSimpleCo.3.gz
+%%DOCS%%man/man3/sc_OverlapOrthog.3.gz
+%%DOCS%%man/man3/sc_P86CFunctional.3.gz
+%%DOCS%%man/man3/sc_PBECFunctional.3.gz
+%%DOCS%%man/man3/sc_PBEXFunctional.3.gz
+%%DOCS%%man/man3/sc_PW86XFunctional.3.gz
+%%DOCS%%man/man3/sc_PW91CFunctional.3.gz
+%%DOCS%%man/man3/sc_PW91XFunctional.3.gz
+%%DOCS%%man/man3/sc_PW92LCFunctional.3.gz
+%%DOCS%%man/man3/sc_PZ81LCFunctional.3.gz
%%DOCS%%man/man3/sc_ParallelRegionTimer.3.gz
%%DOCS%%man/man3/sc_Parameter.3.gz
+%%DOCS%%man/man3/sc_ParentClass.3.gz
+%%DOCS%%man/man3/sc_ParentClasses.3.gz
+%%DOCS%%man/man3/sc_ParsedKeyVal.3.gz
%%DOCS%%man/man3/sc_PetiteList.3.gz
%%DOCS%%man/man3/sc_PointChargeData.3.gz
%%DOCS%%man/man3/sc_PointChargeIntV3.3.gz
+%%DOCS%%man/man3/sc_PointGroup.3.gz
+%%DOCS%%man/man3/sc_PointInputData.3.gz
%%DOCS%%man/man3/sc_PointInputData_SpinData.3.gz
+%%DOCS%%man/man3/sc_PointOutputData.3.gz
%%DOCS%%man/man3/sc_Pool.3.gz
%%DOCS%%man/man3/sc_PoolData.3.gz
+%%DOCS%%man/man3/sc_PowellUpdate.3.gz
+%%DOCS%%man/man3/sc_PrefixKeyVal.3.gz
+%%DOCS%%man/man3/sc_PrimPairsCints.3.gz
+%%DOCS%%man/man3/sc_ProcFileGrp.3.gz
+%%DOCS%%man/man3/sc_ProcMemoryGrp.3.gz
+%%DOCS%%man/man3/sc_ProcMessageGrp.3.gz
+%%DOCS%%man/man3/sc_ProcThreadGrp.3.gz
+%%DOCS%%man/man3/sc_ProgrammingError.3.gz
+%%DOCS%%man/man3/sc_PsiCCSD.3.gz
+%%DOCS%%man/man3/sc_PsiCCSD_T.3.gz
+%%DOCS%%man/man3/sc_PsiCLHF.3.gz
%%DOCS%%man/man3/sc_PsiEffH.3.gz
+%%DOCS%%man/man3/sc_PsiExEnv.3.gz
+%%DOCS%%man/man3/sc_PsiFile11.3.gz
+%%DOCS%%man/man3/sc_PsiHSOSHF.3.gz
+%%DOCS%%man/man3/sc_PsiInput.3.gz
+%%DOCS%%man/man3/sc_PsiSCF.3.gz
+%%DOCS%%man/man3/sc_PsiUHF.3.gz
+%%DOCS%%man/man3/sc_PsiWavefunction.3.gz
+%%DOCS%%man/man3/sc_PthreadThreadGrp.3.gz
+%%DOCS%%man/man3/sc_PumaThreadGrp.3.gz
+%%DOCS%%man/man3/sc_QNewtonOpt.3.gz
+%%DOCS%%man/man3/sc_R12Amplitudes.3.gz
+%%DOCS%%man/man3/sc_R12IntEval.3.gz
+%%DOCS%%man/man3/sc_R12IntEvalInfo.3.gz
+%%DOCS%%man/man3/sc_R12IntsAcc.3.gz
%%DOCS%%man/man3/sc_R12IntsAcc_MPIIOFile.3.gz
%%DOCS%%man/man3/sc_R12IntsAcc_MPIIOFile_Ind.3.gz
%%DOCS%%man/man3/sc_R12IntsAcc_MPIIOFile_PairBlkInfo.3.gz
%%DOCS%%man/man3/sc_R12IntsAcc_MemoryGrp.3.gz
%%DOCS%%man/man3/sc_R12IntsAcc_Node0File.3.gz
+%%DOCS%%man/man3/sc_RDMAMemoryGrp.3.gz
+%%DOCS%%man/man3/sc_RadialAngularIntegrator.3.gz
+%%DOCS%%man/man3/sc_RadialIntegrator.3.gz
%%DOCS%%man/man3/sc_RangeLock.3.gz
%%DOCS%%man/man3/sc_RangeLockItem.3.gz
+%%DOCS%%man/man3/sc_ReadMolecularHessian.3.gz
+%%DOCS%%man/man3/sc_RedundMolecularCoor.3.gz
+%%DOCS%%man/man3/sc_RedundantCartesianIter.3.gz
%%DOCS%%man/man3/sc_RedundantCartesianIterCCA.3.gz
%%DOCS%%man/man3/sc_RedundantCartesianIterCints.3.gz
%%DOCS%%man/man3/sc_RedundantCartesianIterV3.3.gz
+%%DOCS%%man/man3/sc_RedundantCartesianSubIter.3.gz
%%DOCS%%man/man3/sc_RedundantCartesianSubIterCCA.3.gz
%%DOCS%%man/man3/sc_RedundantCartesianSubIterCints.3.gz
%%DOCS%%man/man3/sc_RedundantCartesianSubIterV3.3.gz
%%DOCS%%man/man3/sc_ReentrantUncappedTorusHoleShape.3.gz
+%%DOCS%%man/man3/sc_Ref.3.gz
+%%DOCS%%man/man3/sc_RefBase.3.gz
+%%DOCS%%man/man3/sc_RefCount.3.gz
+%%DOCS%%man/man3/sc_RefDiagSCMatrix.3.gz
+%%DOCS%%man/man3/sc_RefSCDimension.3.gz
+%%DOCS%%man/man3/sc_RefSCMatrix.3.gz
+%%DOCS%%man/man3/sc_RefSCVector.3.gz
+%%DOCS%%man/man3/sc_RefSymmSCMatrix.3.gz
+%%DOCS%%man/man3/sc_RegionTimer.3.gz
%%DOCS%%man/man3/sc_Render.3.gz
%%DOCS%%man/man3/sc_RenderedBallMolecule.3.gz
%%DOCS%%man/man3/sc_RenderedMolecularSurface.3.gz
@@ -960,10 +834,15 @@ lib/libmpqc.so.7.1.0
%%DOCS%%man/man3/sc_RenderedStickMolecule.3.gz
%%DOCS%%man/man3/sc_ReplDiagSCMatrix.3.gz
%%DOCS%%man/man3/sc_ReplSCMatrix.3.gz
+%%DOCS%%man/man3/sc_ReplSCMatrixKit.3.gz
%%DOCS%%man/man3/sc_ReplSCMatrixListSubblockIter.3.gz
%%DOCS%%man/man3/sc_ReplSCVector.3.gz
%%DOCS%%man/man3/sc_ReplSymmSCMatrix.3.gz
+%%DOCS%%man/man3/sc_Result.3.gz
+%%DOCS%%man/man3/sc_ResultInfo.3.gz
+%%DOCS%%man/man3/sc_SCBlockInfo.3.gz
%%DOCS%%man/man3/sc_SCDestructiveElementProduct.3.gz
+%%DOCS%%man/man3/sc_SCDimension.3.gz
%%DOCS%%man/man3/sc_SCElementAccumulateDiagSCMatrix.3.gz
%%DOCS%%man/man3/sc_SCElementAccumulateSCMatrix.3.gz
%%DOCS%%man/man3/sc_SCElementAccumulateSCVector.3.gz
@@ -971,8 +850,12 @@ lib/libmpqc.so.7.1.0
%%DOCS%%man/man3/sc_SCElementAssign.3.gz
%%DOCS%%man/man3/sc_SCElementDot.3.gz
%%DOCS%%man/man3/sc_SCElementInvert.3.gz
+%%DOCS%%man/man3/sc_SCElementKNorm.3.gz
%%DOCS%%man/man3/sc_SCElementMaxAbs.3.gz
%%DOCS%%man/man3/sc_SCElementMinAbs.3.gz
+%%DOCS%%man/man3/sc_SCElementOp.3.gz
+%%DOCS%%man/man3/sc_SCElementOp2.3.gz
+%%DOCS%%man/man3/sc_SCElementOp3.3.gz
%%DOCS%%man/man3/sc_SCElementRandomize.3.gz
%%DOCS%%man/man3/sc_SCElementScalarProduct.3.gz
%%DOCS%%man/man3/sc_SCElementScale.3.gz
@@ -980,47 +863,108 @@ lib/libmpqc.so.7.1.0
%%DOCS%%man/man3/sc_SCElementShiftDiagonal.3.gz
%%DOCS%%man/man3/sc_SCElementSquareRoot.3.gz
%%DOCS%%man/man3/sc_SCElementSumAbs.3.gz
+%%DOCS%%man/man3/sc_SCException.3.gz
+%%DOCS%%man/man3/sc_SCExtrapData.3.gz
+%%DOCS%%man/man3/sc_SCExtrapError.3.gz
+%%DOCS%%man/man3/sc_SCF.3.gz
%%DOCS%%man/man3/sc_SCFEnergy.3.gz
+%%DOCS%%man/man3/sc_SCFormIO.3.gz
+%%DOCS%%man/man3/sc_SCMatrix.3.gz
%%DOCS%%man/man3/sc_SCMatrix3.3.gz
+%%DOCS%%man/man3/sc_SCMatrixBlock.3.gz
+%%DOCS%%man/man3/sc_SCMatrixBlockIter.3.gz
%%DOCS%%man/man3/sc_SCMatrixBlockList.3.gz
%%DOCS%%man/man3/sc_SCMatrixBlockListIter.3.gz
%%DOCS%%man/man3/sc_SCMatrixBlockListLink.3.gz
%%DOCS%%man/man3/sc_SCMatrixCompositeSubblockIter.3.gz
+%%DOCS%%man/man3/sc_SCMatrixDiagBlock.3.gz
%%DOCS%%man/man3/sc_SCMatrixDiagBlockIter.3.gz
+%%DOCS%%man/man3/sc_SCMatrixDiagSubBlock.3.gz
%%DOCS%%man/man3/sc_SCMatrixDiagSubBlockIter.3.gz
%%DOCS%%man/man3/sc_SCMatrixJointSubblockIter.3.gz
+%%DOCS%%man/man3/sc_SCMatrixKit.3.gz
+%%DOCS%%man/man3/sc_SCMatrixLTriBlock.3.gz
%%DOCS%%man/man3/sc_SCMatrixLTriBlockIter.3.gz
+%%DOCS%%man/man3/sc_SCMatrixLTriSubBlock.3.gz
%%DOCS%%man/man3/sc_SCMatrixLTriSubBlockIter.3.gz
%%DOCS%%man/man3/sc_SCMatrixListSubblockIter.3.gz
%%DOCS%%man/man3/sc_SCMatrixNullSubblockIter.3.gz
+%%DOCS%%man/man3/sc_SCMatrixRectBlock.3.gz
%%DOCS%%man/man3/sc_SCMatrixRectBlockIter.3.gz
+%%DOCS%%man/man3/sc_SCMatrixRectSubBlock.3.gz
%%DOCS%%man/man3/sc_SCMatrixRectSubBlockIter.3.gz
%%DOCS%%man/man3/sc_SCMatrixSimpleSubblockIter.3.gz
+%%DOCS%%man/man3/sc_SCMatrixSubblockIter.3.gz
%%DOCS%%man/man3/sc_SCMatrixdouble.3.gz
+%%DOCS%%man/man3/sc_SCVector.3.gz
%%DOCS%%man/man3/sc_SCVector3.3.gz
+%%DOCS%%man/man3/sc_SCVectorSimpleBlock.3.gz
%%DOCS%%man/man3/sc_SCVectorSimpleBlockIter.3.gz
+%%DOCS%%man/man3/sc_SCVectorSimpleSubBlock.3.gz
%%DOCS%%man/man3/sc_SCVectorSimpleSubBlockIter.3.gz
%%DOCS%%man/man3/sc_SCVectordouble.3.gz
%%DOCS%%man/man3/sc_SO.3.gz
+%%DOCS%%man/man3/sc_SOBasis.3.gz
+%%DOCS%%man/man3/sc_SOTransform.3.gz
+%%DOCS%%man/man3/sc_SOTransformFunction.3.gz
+%%DOCS%%man/man3/sc_SOTransformShell.3.gz
%%DOCS%%man/man3/sc_SO_block.3.gz
+%%DOCS%%man/man3/sc_SSAccResult.3.gz
+%%DOCS%%man/man3/sc_SavableState.3.gz
+%%DOCS%%man/man3/sc_SavableStateProxy.3.gz
+%%DOCS%%man/man3/sc_ScaledTorsSimpleCo.3.gz
+%%DOCS%%man/man3/sc_SelfConsistentExtrapolation.3.gz
+%%DOCS%%man/man3/sc_SetIntCoor.3.gz
+%%DOCS%%man/man3/sc_Shape.3.gz
%%DOCS%%man/man3/sc_ShellExtent.3.gz
+%%DOCS%%man/man3/sc_ShellPairCints.3.gz
%%DOCS%%man/man3/sc_ShellPairIter.3.gz
+%%DOCS%%man/man3/sc_ShellPairsCints.3.gz
%%DOCS%%man/man3/sc_ShellQuartetIter.3.gz
+%%DOCS%%man/man3/sc_ShellRotation.3.gz
+%%DOCS%%man/man3/sc_ShmMemoryGrp.3.gz
+%%DOCS%%man/man3/sc_ShmMessageGrp.3.gz
+%%DOCS%%man/man3/sc_SimpleCo.3.gz
+%%DOCS%%man/man3/sc_SlaterXFunctional.3.gz
+%%DOCS%%man/man3/sc_SpatialMOPairIter.3.gz
+%%DOCS%%man/man3/sc_SpatialMOPairIter_eq.3.gz
+%%DOCS%%man/man3/sc_SpatialMOPairIter_neq.3.gz
%%DOCS%%man/man3/sc_SphereShape.3.gz
+%%DOCS%%man/man3/sc_SphericalTransform.3.gz
%%DOCS%%man/man3/sc_SphericalTransformCCA.3.gz
%%DOCS%%man/man3/sc_SphericalTransformCints.3.gz
+%%DOCS%%man/man3/sc_SphericalTransformComponent.3.gz
%%DOCS%%man/man3/sc_SphericalTransformComponentCCA.3.gz
%%DOCS%%man/man3/sc_SphericalTransformComponentCints.3.gz
%%DOCS%%man/man3/sc_SphericalTransformComponentV3.3.gz
+%%DOCS%%man/man3/sc_SphericalTransformIter.3.gz
%%DOCS%%man/man3/sc_SphericalTransformV3.3.gz
%%DOCS%%man/man3/sc_Stack.3.gz
%%DOCS%%man/man3/sc_StateClassData.3.gz
+%%DOCS%%man/man3/sc_StateIn.3.gz
+%%DOCS%%man/man3/sc_StateInBin.3.gz
%%DOCS%%man/man3/sc_StateInData.3.gz
+%%DOCS%%man/man3/sc_StateInFile.3.gz
+%%DOCS%%man/man3/sc_StateInText.3.gz
+%%DOCS%%man/man3/sc_StateOut.3.gz
+%%DOCS%%man/man3/sc_StateOutBin.3.gz
%%DOCS%%man/man3/sc_StateOutData.3.gz
+%%DOCS%%man/man3/sc_StateOutFile.3.gz
+%%DOCS%%man/man3/sc_StateOutText.3.gz
+%%DOCS%%man/man3/sc_StateRecv.3.gz
+%%DOCS%%man/man3/sc_StateSend.3.gz
+%%DOCS%%man/man3/sc_StdDenFunctional.3.gz
%%DOCS%%man/man3/sc_SteepestDescentOpt.3.gz
+%%DOCS%%man/man3/sc_StreSimpleCo.3.gz
+%%DOCS%%man/man3/sc_StringKeyVal.3.gz
%%DOCS%%man/man3/sc_SumAccumH.3.gz
+%%DOCS%%man/man3/sc_SumDenFunctional.3.gz
+%%DOCS%%man/man3/sc_SumIntCoor.3.gz
%%DOCS%%man/man3/sc_SumMolecularEnergy.3.gz
+%%DOCS%%man/man3/sc_SymRep.3.gz
+%%DOCS%%man/man3/sc_SymmMolecularCoor.3.gz
%%DOCS%%man/man3/sc_SymmOneBodyIntIter.3.gz
+%%DOCS%%man/man3/sc_SymmSCMatrix.3.gz
%%DOCS%%man/man3/sc_SymmSCMatrix2SCExtrapData.3.gz
%%DOCS%%man/man3/sc_SymmSCMatrix4SCExtrapData.3.gz
%%DOCS%%man/man3/sc_SymmSCMatrixNSCExtrapData.3.gz
@@ -1028,13 +972,27 @@ lib/libmpqc.so.7.1.0
%%DOCS%%man/man3/sc_SymmSCMatrixSCExtrapError.3.gz
%%DOCS%%man/man3/sc_SymmSCMatrixdouble.3.gz
%%DOCS%%man/man3/sc_SymmTwoBodyIntIter.3.gz
+%%DOCS%%man/man3/sc_SymmetryOperation.3.gz
+%%DOCS%%man/man3/sc_SyscallFailed.3.gz
+%%DOCS%%man/man3/sc_SystemException.3.gz
%%DOCS%%man/man3/sc_TBGrad.3.gz
%%DOCS%%man/man3/sc_TCHF.3.gz
%%DOCS%%man/man3/sc_TCSCF.3.gz
%%DOCS%%man/man3/sc_TaylorMolecularEnergy.3.gz
%%DOCS%%man/man3/sc_TestEffH.3.gz
+%%DOCS%%man/man3/sc_Thread.3.gz
+%%DOCS%%man/man3/sc_ThreadGrp.3.gz
+%%DOCS%%man/man3/sc_ThreadLock.3.gz
+%%DOCS%%man/man3/sc_ThreadLockHolder.3.gz
%%DOCS%%man/man3/sc_TimedRegion.3.gz
+%%DOCS%%man/man3/sc_Timer.3.gz
+%%DOCS%%man/man3/sc_ToleranceExceeded.3.gz
+%%DOCS%%man/man3/sc_TorsSimpleCo.3.gz
%%DOCS%%man/man3/sc_Transform.3.gz
+%%DOCS%%man/man3/sc_TranslateData.3.gz
+%%DOCS%%man/man3/sc_TranslateDataByteSwap.3.gz
+%%DOCS%%man/man3/sc_TranslateDataIn.3.gz
+%%DOCS%%man/man3/sc_TranslateDataOut.3.gz
%%DOCS%%man/man3/sc_TriInterpCoef.3.gz
%%DOCS%%man/man3/sc_TriInterpCoefKey.3.gz
%%DOCS%%man/man3/sc_Triangle.3.gz
@@ -1042,31 +1000,74 @@ lib/libmpqc.so.7.1.0
%%DOCS%%man/man3/sc_TriangulatedImplicitSurface.3.gz
%%DOCS%%man/man3/sc_TriangulatedSurface.3.gz
%%DOCS%%man/man3/sc_TriangulatedSurfaceIntegrator.3.gz
+%%DOCS%%man/man3/sc_TwoBodyDerivInt.3.gz
+%%DOCS%%man/man3/sc_TwoBodyDerivIntCCA.3.gz
+%%DOCS%%man/man3/sc_TwoBodyDerivIntCints.3.gz
+%%DOCS%%man/man3/sc_TwoBodyDerivIntV3.3.gz
+%%DOCS%%man/man3/sc_TwoBodyGrid.3.gz
+%%DOCS%%man/man3/sc_TwoBodyInt.3.gz
+%%DOCS%%man/man3/sc_TwoBodyIntCCA.3.gz
+%%DOCS%%man/man3/sc_TwoBodyIntCints.3.gz
%%DOCS%%man/man3/sc_TwoBodyIntIter.3.gz
+%%DOCS%%man/man3/sc_TwoBodyIntV3.3.gz
+%%DOCS%%man/man3/sc_TwoBodyMOIntsTransform.3.gz
%%DOCS%%man/man3/sc_TwoBodyMOIntsTransform_123Inds.3.gz
%%DOCS%%man/man3/sc_TwoBodyMOIntsTransform_12Inds.3.gz
%%DOCS%%man/man3/sc_TwoBodyMOIntsTransform_13Inds.3.gz
+%%DOCS%%man/man3/sc_TwoBodyMOIntsTransform_MOSpaces.3.gz
+%%DOCS%%man/man3/sc_TwoBodyMOIntsTransform_ijxy.3.gz
+%%DOCS%%man/man3/sc_TwoBodyMOIntsTransform_ikjy.3.gz
+%%DOCS%%man/man3/sc_TwoBodyMOIntsTransform_ixjy.3.gz
%%DOCS%%man/man3/sc_TwoBodySOInt.3.gz
+%%DOCS%%man/man3/sc_TwoBodyThreeCenterDerivInt.3.gz
+%%DOCS%%man/man3/sc_TwoBodyThreeCenterInt.3.gz
+%%DOCS%%man/man3/sc_TwoBodyThreeCenterIntV3.3.gz
+%%DOCS%%man/man3/sc_TwoBodyTwoCenterDerivInt.3.gz
+%%DOCS%%man/man3/sc_TwoBodyTwoCenterInt.3.gz
+%%DOCS%%man/man3/sc_TwoBodyTwoCenterIntV3.3.gz
+%%DOCS%%man/man3/sc_UHF.3.gz
+%%DOCS%%man/man3/sc_UKS.3.gz
%%DOCS%%man/man3/sc_Uncapped5SphereExclusionShape.3.gz
%%DOCS%%man/man3/sc_UncappedTorusHoleShape.3.gz
+%%DOCS%%man/man3/sc_UnionShape.3.gz
+%%DOCS%%man/man3/sc_Units.3.gz
+%%DOCS%%man/man3/sc_UnrestrictedSCF.3.gz
%%DOCS%%man/man3/sc_UsedData.3.gz
+%%DOCS%%man/man3/sc_VDWShape.3.gz
+%%DOCS%%man/man3/sc_VWN1LCFunctional.3.gz
+%%DOCS%%man/man3/sc_VWN2LCFunctional.3.gz
+%%DOCS%%man/man3/sc_VWN3LCFunctional.3.gz
+%%DOCS%%man/man3/sc_VWN4LCFunctional.3.gz
+%%DOCS%%man/man3/sc_VWN5LCFunctional.3.gz
+%%DOCS%%man/man3/sc_VWNLCFunctional.3.gz
%%DOCS%%man/man3/sc_Vertex.3.gz
+%%DOCS%%man/man3/sc_Volume.3.gz
+%%DOCS%%man/man3/sc_Wavefunction.3.gz
%%DOCS%%man/man3/sc_X.3.gz
+%%DOCS%%man/man3/sc_XalphaFunctional.3.gz
%%DOCS%%man/man3/sc_Y.3.gz
+%%DOCS%%man/man3/sc_auto_vec.3.gz
+%%DOCS%%man/man3/sc_canonical_aaaa.3.gz
+%%DOCS%%man/man3/sc_canonical_aabb.3.gz
+%%DOCS%%man/man3/sc_canonical_aabc.3.gz
+%%DOCS%%man/man3/sc_canonical_abcd.3.gz
%%DOCS%%man/man3/sc_commbuf_struct.3.gz
%%DOCS%%man/man3/sc_contribution.3.gz
%%DOCS%%man/man3/sc_der_centersv3_t.3.gz
%%DOCS%%man/man3/sc_distsize_t.3.gz
+%%DOCS%%man/man3/sc_intMessageGrp.3.gz
%%DOCS%%man/man3/sc_intlist_struct.3.gz
%%DOCS%%man/man3/sc_ip_cwk_stack_struct.3.gz
%%DOCS%%man/man3/sc_ip_keyword_tree_list_struct.3.gz
%%DOCS%%man/man3/sc_ip_keyword_tree_struct.3.gz
%%DOCS%%man/man3/sc_ip_string_list_struct.3.gz
+%%DOCS%%man/man3/sc_mPW91XFunctional.3.gz
%%DOCS%%man/man3/sc_mat3.3.gz
%%DOCS%%man/man3/sc_mat4.3.gz
%%DOCS%%man/man3/sc_message_struct.3.gz
%%DOCS%%man/man3/sc_msgbuf_struct.3.gz
%%DOCS%%man/man3/sc_prim_pair_t.3.gz
+%%DOCS%%man/man3/sc_scprintf.3.gz
%%DOCS%%man/man3/sc_type_info_key.3.gz
%%DOCS%%man/man3/sc_vec2.3.gz
%%DOCS%%man/man3/sc_vec3.3.gz