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add extract() function to bond_fene_expand.cpp

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Evangelos Voyiatzis
2024-09-20 19:38:58 +02:00
committed by GitHub
parent 423b058820
commit b2a2cefc02
1 changed files with 15 additions and 0 deletions
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15
src/MOLECULE/bond_fene_expand.cpp
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@ -273,3 +273,18 @@ double BondFENEExpand::single(int type, double rsq, int /*i*/, int /*j*/, double
return eng;
}
/* ----------------------------------------------------------------------
return ptr to internal members upon request
------------------------------------------------------------------------ */
void *BondFENEExpand::extract(const char *str, int &dim)
{
dim = 1;
if (strcmp(str, "k") == 0) return (void *) k;
if (strcmp(str, "r0") == 0) return (void *) r0;
if (strcmp(str, "epsilon") == 0) return (void *) epsilon;
if (strcmp(str, "sigma") == 0) return (void *) sigma;
if (strcmp(str, "shift") == 0) return (void *) shift;
return nullptr;
}