From 31c8028bb0c2bc8b37ef41600f413169b9bb0c13 Mon Sep 17 00:00:00 2001 From: edoapra Date: Wed, 27 Nov 2019 14:18:11 -0800 Subject: [PATCH] bug fix for molden read --- src/ddscf/scf_get_info.F | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/src/ddscf/scf_get_info.F b/src/ddscf/scf_get_info.F index 7afadedb22..aef96ab49c 100644 --- a/src/ddscf/scf_get_info.F +++ b/src/ddscf/scf_get_info.F @@ -112,7 +112,8 @@ c $ movecs_out = ' ' if (movecs_out.eq.' ') then if (movecs_in.eq.'atomic' .or. movecs_in.eq.'hcore' .or. - $ movecs_in.eq.'project' .or. movecs_in.eq.'fragment' + $ movecs_in.eq.'project' .or. movecs_in.eq.'fragment'.or. + $ movecs_in.eq.'molden' $ .or.movecs_in.eq.'rotate') then call util_file_name('movecs', .false.,.false.,movecs_out) else @@ -124,7 +125,8 @@ c Resolve names of MO files to full paths defaulting to the c permanent directory c if (movecs_in.eq.'atomic' .or. movecs_in.eq.'hcore' .or. - $ movecs_in.eq.'project' .or. movecs_in.eq.'fragment' + $ movecs_in.eq.'project' .or. movecs_in.eq.'fragment'.or. + $ movecs_in.eq.'molden' $ .or.movecs_in.eq.'rotate') then continue else