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@642 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2007-06-22 16:59:17 +00:00
parent 988a4479e8
commit cea0208207
42 changed files with 245 additions and 194 deletions
Download Patch File Download Diff File Expand all files Collapse all files

19
src/fix_enforce2d.cpp
View File

@ -67,9 +67,7 @@ void FixEnforce2D::min_setup()
void FixEnforce2D::post_force(int vflag)
{
double **v = atom->v;
double **omega = atom->omega;
double **f = atom->f;
double **torque = atom->torque;
int *mask = atom->mask;
int nlocal = atom->nlocal;
@ -79,9 +77,10 @@ void FixEnforce2D::post_force(int vflag)
f[i][2] = 0.0;
}
// for omega/torque systems, zero xy rotation
// for systems with omega/angmom/torque, zero x and y components
if (omega) {
if (atom->omega_flag) {
double **omega = atom->omega;
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
omega[i][0] = 0.0;
@ -89,7 +88,17 @@ void FixEnforce2D::post_force(int vflag)
}
}
if (torque) {
if (atom->angmom_flag) {
double **angmom = atom->angmom;
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
angmom[i][0] = 0.0;
angmom[i][1] = 0.0;
}
}
if (atom->torque_flag) {
double **torque = atom->torque;
for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) {
torque[i][0] = 0.0;