From dc0d668f3829fee928b645f469a6c43f90608a8d Mon Sep 17 00:00:00 2001 From: amandadumi Date: Tue, 16 Jun 2020 10:57:24 -0400 Subject: [PATCH] changing molden 'Atoms' label to match coordinate units --- src/tools/molden.irp.f | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/tools/molden.irp.f b/src/tools/molden.irp.f index f70ed0de..417b25ad 100644 --- a/src/tools/molden.irp.f +++ b/src/tools/molden.irp.f @@ -17,7 +17,7 @@ program molden write(i_unit_output,'(A)') '[Molden Format]' - write(i_unit_output,'(A)') '[Atoms] AU' + write(i_unit_output,'(A)') '[Atoms] Angs' do i = 1, nucl_num write(i_unit_output,'(A2,2X,I4,2X,I4,3(2X,F15.10))') & trim(element_name(int(nucl_charge(i)))), &