jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9543 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2013-02-20 15:22:12 +00:00
parent 4ff021e8f4
commit bc793177a3
1 changed files with 4 additions and 4 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

8
src/compute_ti.cpp
View File

@ -74,13 +74,12 @@ ComputeTI::ComputeTI(LAMMPS *lmp, int narg, char **arg) :
if (iarg+4 > narg) error->all(FLERR,"Illegal compute ti command");
if (strcmp(arg[iarg],"kspace") == 0) which[nterms] = KSPACE;
else if (strcmp(arg[iarg],"tail") == 0) which[nterms] = TAIL;
else {
which[nterms] = PAIR;}
else which[nterms] = PAIR;
int n = strlen(arg[iarg]) + 1;
pstyle[nterms] = new char[n];
strcpy(pstyle[nterms],arg[iarg]);
force->bounds(arg[iarg+1],atom->ntypes,ilo[nterms],ihi[nterms]);
iarg += 1;
if (strstr(arg[iarg+1],"v_") == arg[iarg+1]) {
@ -136,7 +135,8 @@ void ComputeTI::init()
if (which[m] == PAIR) {
pptr[m] = force->pair_match(pstyle[m],1);
if (pptr[m] == NULL) error->all(FLERR,"Compute ti pair style does not exist");
if (pptr[m] == NULL)
error->all(FLERR,"Compute ti pair style does not exist");
} else if (which[m] == TAIL) {
if (force->pair == NULL || force->pair->tail_flag == 0)