From b5386d714e83fe40b27815592d1c0c6a5a2248f6 Mon Sep 17 00:00:00 2001 From: Evangelos Voyiatzis Date: Fri, 11 Oct 2024 10:51:14 +0200 Subject: [PATCH] Update extract() function to bond_morse.cpp --- src/MOLECULE/bond_morse.cpp | 2 ++ 1 file changed, 2 insertions(+) diff --git a/src/MOLECULE/bond_morse.cpp b/src/MOLECULE/bond_morse.cpp index b7020b0441..b0e19c359c 100644 --- a/src/MOLECULE/bond_morse.cpp +++ b/src/MOLECULE/bond_morse.cpp @@ -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; }