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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2330 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2009-01-05 22:26:08 +00:00
parent e1f72f6d3a
commit 0cc1d090f4
90 changed files with 1129 additions and 779 deletions
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6
src/input.cpp
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@ -1080,13 +1080,15 @@ void Input::shape()
void Input::special_bonds()
{
// store 1-3,1-4 and dihedral flag values before change
// store 1-3,1-4 and dihedral/extra flag values before change
// change in 1-2 coeffs will not change the special list
double lj2 = force->special_lj[2];
double lj3 = force->special_lj[3];
double coul2 = force->special_coul[2];
double coul3 = force->special_coul[3];
int dihedral = force->special_dihedral;
int extra = force->special_extra;
force->set_special(narg,arg);
@ -1095,7 +1097,7 @@ void Input::special_bonds()
if (domain->box_exist && atom->molecular) {
if (lj2 != force->special_lj[2] || lj3 != force->special_lj[3] ||
coul2 != force->special_coul[2] || coul3 != force->special_coul[3] ||
dihedral != force->special_dihedral) {
dihedral != force->special_dihedral || extra != force->special_extra) {
Special special(lmp);
special.build();
}