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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5103 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-10-22 21:26:02 +00:00
parent 49f49a85e3
commit 8889d8dfb9
8 changed files with 299 additions and 25 deletions
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11
src/pair_born.cpp
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@ -403,3 +403,14 @@ double PairBorn::single(int i, int j, int itype, int jtype,
d[itype][jtype]*r2inv*r6inv - offset[itype][jtype];
return factor_lj*phiborn;
}
/* ---------------------------------------------------------------------- */
void *PairBorn::extract(char *str, int &dim)
{
dim = 2;
if (strcmp(str,"a") == 0) return (void *) a;
if (strcmp(str,"c") == 0) return (void *) c;
if (strcmp(str,"d") == 0) return (void *) d;
return NULL;
}