diff --git a/src/basistool/main.cpp b/src/basistool/main.cpp index c497a529..9c132ebb 100644 --- a/src/basistool/main.cpp +++ b/src/basistool/main.cpp @@ -362,6 +362,7 @@ int main_guarded(int argc, char **argv) { } else { printf("Contracting auxiliary basis set with threshold %e\n",threshold); } + printf("See J. Chem. Theory Comput. 19, 6242 (2023). DOI: 10.1021/acs.jctc.3c00670\n"); // Loop over elements in the auxiliary basis set std::vector auxelements(auxbas.get_elements()); @@ -696,6 +697,7 @@ int main_guarded(int argc, char **argv) { printf("\nUsage: %s orbbas.gbs dropaux_yang auxbas.gbs linc truncauxbas.gbs\n",argv[0]); return 1; } + printf("Dropping high-angular momentum functions with the scheme of Yang et al.\nSee J. Chem. Theory Comput. 19, 6242 (2023). DOI: 10.1021/acs.jctc.3c00670\n"); std::string auxfile(argv[3]); int linc(atoi(argv[4])); @@ -735,6 +737,7 @@ int main_guarded(int argc, char **argv) { printf("\nUsage: %s orbbas.gbs dropaux auxbas.gbs linc truncauxbas.gbs\n",argv[0]); return 1; } + printf("Dropping high-angular momentum functions.\nSee J. Chem. Theory Comput. 19, 6242 (2023). DOI: 10.1021/acs.jctc.3c00670\n"); std::string auxfile(argv[3]); int linc(atoi(argv[4]));