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@11937 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2014-05-07 16:15:31 +00:00
parent 4ab16d5388
commit 4c9bba90f1
34 changed files with 146 additions and 215 deletions
Download Patch File Download Diff File Expand all files Collapse all files

22
src/fix_setforce.cpp
View File

@ -99,8 +99,8 @@ FixSetForce::FixSetForce(LAMMPS *lmp, int narg, char **arg) :
force_flag = 0;
foriginal[0] = foriginal[1] = foriginal[2] = 0.0;
maxatom = 0;
sforce = NULL;
maxatom = atom->nmax;
memory->create(sforce,maxatom,3,"setforce:sforce");
}
/* ---------------------------------------------------------------------- */
@ -257,20 +257,14 @@ void FixSetForce::post_force(int vflag)
modify->clearstep_compute();
if (xstyle == EQUAL) xvalue = input->variable->compute_equal(xvar);
else if (xstyle == ATOM) {
if (sforce) input->variable->compute_atom(xvar,igroup,&sforce[0][0],3,0);
else input->variable->compute_atom(xvar,igroup,NULL,3,0);
}
else if (xstyle == ATOM)
input->variable->compute_atom(xvar,igroup,&sforce[0][0],3,0);
if (ystyle == EQUAL) yvalue = input->variable->compute_equal(yvar);
else if (ystyle == ATOM) {
if (sforce) input->variable->compute_atom(yvar,igroup,&sforce[0][1],3,0);
else input->variable->compute_atom(yvar,igroup,NULL,3,0);
}
else if (ystyle == ATOM)
input->variable->compute_atom(yvar,igroup,&sforce[0][1],3,0);
if (zstyle == EQUAL) zvalue = input->variable->compute_equal(zvar);
else if (zstyle == ATOM) {
if (sforce) input->variable->compute_atom(zvar,igroup,&sforce[0][2],3,0);
else input->variable->compute_atom(zvar,igroup,NULL,3,0);
}
else if (zstyle == ATOM)
input->variable->compute_atom(zvar,igroup,&sforce[0][2],3,0);
modify->addstep_compute(update->ntimestep + 1);