From 3af72adbe594d626e368bcaa684f1a8dac6dbf67 Mon Sep 17 00:00:00 2001 From: jussilehtola Date: Fri, 13 Dec 2013 13:36:47 +0000 Subject: [PATCH] Added reference to localization program. --- src/localize.cpp | 5 +++++ 1 file changed, 5 insertions(+) diff --git a/src/localize.cpp b/src/localize.cpp index cfa729a3..edc9392c 100644 --- a/src/localize.cpp +++ b/src/localize.cpp @@ -419,6 +419,11 @@ int main(int argc, char **argv) { set.parse(argv[1]); set.print(); + printf("Please read and cite the reference:\n%s\n%s\n%s\n\n", \ + "S. Lehtola and H. Jónsson", \ + "Unitary optimization of localized molecular orbitals", \ + "J. Chem. Theory Comput. 9 (2013), pp. 5365 - 5372."); + std::string logfile=set.get_string("Logfile"); bool virt=set.get_bool("Virtual"); int seed=set.get_int("Seed");