ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4433 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2010-08-04 15:10:00 +00:00
parent 826caf694b
commit 27e8888127
5 changed files with 181 additions and 2 deletions
Download Patch File Download Diff File Expand all files Collapse all files

5
src/input.cpp
View File

@ -1140,6 +1140,7 @@ void Input::special_bonds()
double lj3 = force->special_lj[3];
double coul2 = force->special_coul[2];
double coul3 = force->special_coul[3];
int angle = force->special_angle;
int dihedral = force->special_dihedral;
int extra = force->special_extra;
@ -1150,7 +1151,9 @@ 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 || extra != force->special_extra) {
angle != force->special_angle ||
dihedral != force->special_dihedral ||
extra != force->special_extra) {
Special special(lmp);
special.build();
}