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Update pair_lj_class2.cpp

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Evangelos Voyiatzis 2018-12-17 18:02:27 +01:00 committed by GitHub
parent 0ad44efe24
commit 968e56694f
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1 changed files with 11 additions and 0 deletions
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11
src/CLASS2/pair_lj_class2.cpp
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@ -14,6 +14,7 @@
#include <cmath>
#include <cstdio>
#include <cstdlib>
#include <cstring>
#include "pair_lj_class2.h"
#include "atom.h"
#include "comm.h"
@ -394,3 +395,13 @@ double PairLJClass2::single(int /*i*/, int /*j*/, int itype, int jtype, double r
offset[itype][jtype];
return factor_lj*philj;
}
/* ---------------------------------------------------------------------- */
void *PairLJClass2::extract(const char *str, int &dim)
{
dim = 2;
if (strcmp(str,"epsilon") == 0) return (void *) epsilon;
if (strcmp(str,"sigma") == 0) return (void *) sigma;
return NULL;
}