diff --git a/src/gridtools/PairEntropies.cpp b/src/gridtools/PairEntropies.cpp index b2b059d140..bb652d3a53 100644 --- a/src/gridtools/PairEntropies.cpp +++ b/src/gridtools/PairEntropies.cpp @@ -48,7 +48,8 @@ void PairEntropies::registerKeywords( Keywords& keys ) { keys.remove("GROUP"); keys.remove("GROUPA"); keys.remove("GROUPB"); - keys.remove("ATOMS"); keys.add("atoms","ATOMS","the atoms that you would like to compute the entropies for"); + keys.remove("ATOMS"); + keys.add("atoms","ATOMS","the atoms that you would like to compute the entropies for"); keys.setValueDescription("vector","the a vector containing the KL-entropy that is computed from the radial distribution function around each of the atoms in the input"); keys.needsAction("PAIRENTROPY"); keys.needsAction("INTERPOLATE_GRID"); diff --git a/src/gridtools/RDF.cpp b/src/gridtools/RDF.cpp index 9f4bb92349..1a96e7d556 100644 --- a/src/gridtools/RDF.cpp +++ b/src/gridtools/RDF.cpp @@ -107,7 +107,10 @@ RDF::RDF(const ActionOptions&ao): // Create contact matrix std::string natoms, str_norm_atoms, atom_str, group_str, groupa_str, groupb_str; - parse("GROUP",group_str); if( group_str.size()==0 ) parse("ATOMS",group_str); + parse("GROUP",group_str); + if( group_str.size()==0 ) { + parse("ATOMS",group_str); + } if( group_str.length()>0 ) { atom_str="GROUP=" + group_str; std::vector awords=Tools::getWords(group_str,"\t\n ,");