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@2622 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2009-03-05 20:49:19 +00:00
parent 12f25b8829
commit cb90e03944
7 changed files with 106 additions and 71 deletions
Download Patch File Download Diff File Expand all files Collapse all files

9
src/compute_pressure.cpp
View File

@ -64,12 +64,12 @@ ComputePressure::ComputePressure(LAMMPS *lmp, int narg, char **arg) :
keflag = 1;
pairflag = 1;
bondflag = angleflag = dihedralflag = improperflag = 1;
fixflag = kspaceflag = 1;
kspaceflag = fixflag = 1;
} else {
keflag = 0;
pairflag = 0;
bondflag = angleflag = dihedralflag = improperflag = 0;
fixflag = kspaceflag = 0;
kspaceflag = fixflag = 0;
int iarg = 4;
while (iarg < narg) {
if (strcmp(arg[iarg],"ke") == 0) keflag = 1;
@ -80,6 +80,11 @@ ComputePressure::ComputePressure(LAMMPS *lmp, int narg, char **arg) :
else if (strcmp(arg[iarg],"improper") == 0) improperflag = 1;
else if (strcmp(arg[iarg],"kspace") == 0) kspaceflag = 1;
else if (strcmp(arg[iarg],"fix") == 0) fixflag = 1;
else if (strcmp(arg[iarg],"virial") == 0) {
pairflag = 1;
bondflag = angleflag = dihedralflag = improperflag = 1;
kspaceflag = fixflag = 1;
}
else error->all("Illegal compute pressure command");
iarg++;
}