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* Fix build with WITH_OPTIMIZED_FLAGS definedMaho Nakata2004-11-231-1/+3
| | | | | PR: 74013 Submitted by: Jie Gao <gaoj at cpsc.ucalgary.ca>
* Fix build on 5-STABLEMaho Nakata2004-09-031-2/+2
| | | | Submitted by: pointyhat
* Autotools cleanup. Remove autoconf257 (259), automake17 (18), andAde Lovett2004-07-011-1/+1
| | | | | | | | libtool14 (13/15). PR: 67768 Submitted by: ade Approved by: 4-exp bento runs (thanks, kris!)
* update to 3.2.1Maho Nakata2004-06-162-3/+3
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* Make portlint happy by replacing space to tabMaho Nakata2004-05-061-8/+8
| | | | | PR: 65409 Submitted by: trevor
* 1) add documentsMaho Nakata2004-03-194-18/+41
| | | | 2) add note for citation in pkg-message
* The PSI3 suite of quantum chemical programs is designed for efficient,Maho Nakata2004-03-198-0/+686
high-accuracy calculations of properties of small to medium-sized molecules. The package's current capabilities include a variety of Hartree-Fock, coupled cluster, complete-active-space self-consistent-field, and multi-reference configuration interaction models. Molecular point-group symmetry is utilized throughout to maximize efficiency.