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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7761 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-02-13 15:33:29 +00:00
parent e883c3c2fa
commit 1217612ab6
143 changed files with 616 additions and 600 deletions
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src/fix_restrain.cpp
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@ -87,9 +87,9 @@ FixRestrain::FixRestrain(LAMMPS *lmp, int narg, char **arg) :
if (rstyle == DIHEDRAL) {
cos_shift = (double *)
memory->smalloc(n_bonds * sizeof(double), "restrain:cos_shift");
memory->smalloc(n_bonds * sizeof(double),"restrain:cos_shift");
sin_shift = (double *)
memory->smalloc(n_bonds * sizeof(double), "restrain:sin_shift");
memory->smalloc(n_bonds * sizeof(double),"restrain:sin_shift");
for (ibond = 0; ibond < n_bonds; ibond++) {
double my_arg = MY_PI * (180.0 + target[ibond]) / 180.0;
cos_shift[ibond] = cos(my_arg);