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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3622 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2009-12-31 21:11:52 +00:00
parent 98222b27f4
commit cf4ca9efb7
3 changed files with 14 additions and 14 deletions
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10
src/compute_msd.cpp
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@ -49,18 +49,18 @@ ComputeMSD::ComputeMSD(LAMMPS *lmp, int narg, char **arg) :
} else error->all("Illegal compute msd command");
}
// create a new fix coord/original style with or without com keyword
// id = compute-ID + coord_original, fix group = compute group
// create a new fix store/coord style with or without com keyword
// id = compute-ID + store_coord, fix group = compute group
int n = strlen(id) + strlen("_coord_original") + 1;
int n = strlen(id) + strlen("_store_coord") + 1;
id_fix = new char[n];
strcpy(id_fix,id);
strcat(id_fix,"_coord_original");
strcat(id_fix,"_store_coord");
char **newarg = new char*[5];
newarg[0] = id_fix;
newarg[1] = group->names[igroup];
newarg[2] = (char *) "coord/original";
newarg[2] = (char *) "store/coord";
newarg[3] = (char *) "com";
newarg[4] = (char *) "yes";
if (comflag) modify->add_fix(5,newarg);