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add extract() function to angle_class2_p6.cpp

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Evangelos Voyiatzis
2024-10-11 10:48:19 +02:00
committed by GitHub
parent 852c46ba0e
commit 1db92ad34b
1 changed files with 16 additions and 0 deletions
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16
src/MOFFF/angle_class2_p6.cpp
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@ -487,3 +487,19 @@ double AngleClass2P6::single(int type, int i1, int i2, int i3)
return energy;
}
/* ----------------------------------------------------------------------
return ptr to internal members upon request
------------------------------------------------------------------------ */
void *AngleClass2P6::extract(const char *str, int &dim)
{
dim = 1;
if (strcmp(str, "k2") == 0) return (void *) k2;
if (strcmp(str, "k3") == 0) return (void *) k3;
if (strcmp(str, "k4") == 0) return (void *) k4;
if (strcmp(str, "k5") == 0) return (void *) k5;
if (strcmp(str, "k6") == 0) return (void *) k6;
if (strcmp(str, "theta0") == 0) return (void *) theta0;
return nullptr;
}