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Update extract() function to bond_morse.cpp

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Evangelos Voyiatzis
2024-10-11 10:51:14 +02:00
committed by GitHub
parent 87737c1a47
commit b5386d714e
1 changed files with 2 additions and 0 deletions
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src/MOLECULE/bond_morse.cpp
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@ -227,6 +227,8 @@ void BondMorse::born_matrix(int type, double rsq, int /*i*/, int /*j*/, double &
void *BondMorse::extract(const char *str, int &dim)
{
dim = 1;
if (strcmp(str, "d0") == 0) return (void *) d0;
if (strcmp(str, "alpha") == 0) return (void *) alpha;
if (strcmp(str, "r0") == 0) return (void *) r0;
return nullptr;
}