diff options
Diffstat (limited to 'science/liggghts/files/patch-pair.cpp')
| -rw-r--r-- | science/liggghts/files/patch-pair.cpp | 20 |
1 files changed, 20 insertions, 0 deletions
diff --git a/science/liggghts/files/patch-pair.cpp b/science/liggghts/files/patch-pair.cpp new file mode 100644 index 000000000000..4e1a7db54aef --- /dev/null +++ b/science/liggghts/files/patch-pair.cpp @@ -0,0 +1,20 @@ +--- pair.cpp.orig 2018-11-02 06:56:59 UTC ++++ pair.cpp +@@ -566,7 +566,7 @@ void Pair::init_tables_disp(double cut_l + } + + rsq = rsq_lookup.f; +- register double x2 = g2*rsq, a2 = 1.0/x2; ++ double x2 = g2*rsq, a2 = 1.0/x2; + x2 = a2*exp(-x2); + + rdisptable[i] = rsq_lookup.f; +@@ -612,7 +612,7 @@ void Pair::init_tables_disp(double cut_l + if (rsq_lookup.f < (cut_lj_globalsq = cut_lj_global * cut_lj_global)) { + rsq_lookup.f = cut_lj_globalsq; + +- register double x2 = g2*rsq, a2 = 1.0/x2; ++ double x2 = g2*rsq, a2 = 1.0/x2; + x2 = a2*exp(-x2); + f_tmp = g8*(((6.0*a2+6.0)*a2+3.0)*a2+1.0)*x2*rsq; + e_tmp = g6*((a2+1.0)*a2+0.5)*x2; |