From 8808b11d269ba43e0cd990ecc967b83711aeaeec Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sat, 12 Feb 2022 10:04:24 -0500 Subject: [PATCH] must write out 3 lines of comment in fortran code. sync output style with python --- tools/eam_database/create.f | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/tools/eam_database/create.f b/tools/eam_database/create.f index ce6f03a7ac..af8538c1fe 100644 --- a/tools/eam_database/create.f +++ b/tools/eam_database/create.f @@ -243,11 +243,14 @@ ccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc outfile = outfile(1:index(outfile,' ')-1)//'.eam.alloy' open(unit=1,file=outfile) call date_and_time(DATE=date) - write(1,*) ' DATE: ',date(1:4),'-',date(5:6),'-',date(7:8),' ', + write(1,*) '# DATE: ',date(1:4),'-',date(5:6),'-',date(7:8),' ', + * 'UNITS: metal ', * 'CONTRIBUTOR: Xiaowang Zhou xzhou@sandia.gov and ', * 'Lucas Hale lucas.hale@nist.gov ', * 'CITATION: X. W. Zhou, R. A. Johnson, ', * 'H. N. G. Wadley, Phys. Rev. B, 69, 144113(2004)' + write(1,*) '# created by create.f' + write(1,*) '#' write(1,8)ntypes,outelem 8 format(i5,' ',a24) write(1,9)nrho,drho,nr,dr,rc