From 43bcf163f187450873c23da28f725a37c84b6019 Mon Sep 17 00:00:00 2001 From: Jonathon Misiewicz Date: Tue, 26 Nov 2024 12:13:26 -0500 Subject: [PATCH] Fix set_derived_value type error --- src/madness/chem/molecule.h | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/madness/chem/molecule.h b/src/madness/chem/molecule.h index 341401c86f4..5ad20a5cf62 100644 --- a/src/madness/chem/molecule.h +++ b/src/madness/chem/molecule.h @@ -219,7 +219,7 @@ class Molecule { // } if (source_type()=="xyz") set_derived_value("units",std::string("angstrom")); - if (units()=="bohr" or units()=="au") set_derived_value("units","atomic"); + if (units()=="bohr" or units()=="au") set_derived_value("units",std::string("atomic")); } std::string source_type() const {return get("source_type");} @@ -543,4 +543,4 @@ class Molecule { } -#endif \ No newline at end of file +#endif