From a1b7a213eef48965c9aa349a761ebeca646a0b7e Mon Sep 17 00:00:00 2001 From: Cezary Czaplewski Date: Fri, 15 Feb 2013 01:50:59 +0100 Subject: [PATCH] adding ename to statout with PRINT_COMPON Conflicts: bin/unres/MD/unres_ifort_MPICH_GAB.exe examples/unres/new/MD/DYN_SS/no_ss/small.out_GB000 examples/unres/new/MD/DYN_SS/ss/small.inp examples/unres/new/MD/DYN_SS/ss/small.out_GB000 examples/unres/new/MD/DYN_SS/ss/small_GB000.stat source/unres/src_MD/cinfo.f --- source/unres/src_MD/cinfo.f | 9 +++++++++ source/unres/src_MD/geomout.F | 6 ++++++ 2 files changed, 15 insertions(+) diff --git a/source/unres/src_MD/cinfo.f b/source/unres/src_MD/cinfo.f index 9508491..2168fb7 100644 --- a/source/unres/src_MD/cinfo.f +++ b/source/unres/src_MD/cinfo.f @@ -1,10 +1,19 @@ C DO NOT EDIT THIS FILE - IT HAS BEEN GENERATED BY COMPINFO.C +<<<<<<< HEAD C 3 1 9 subroutine cinfo include 'COMMON.IOUNITS' write(iout,*)'++++ Compile info ++++' write(iout,*)'Version 3.1 build 9' write(iout,*)'compiled Mon Sep 24 13:56:56 2012' +======= +C 3 1 41 + subroutine cinfo + include 'COMMON.IOUNITS' + write(iout,*)'++++ Compile info ++++' + write(iout,*)'Version 3.1 build 41' + write(iout,*)'compiled Fri Feb 15 01:43:03 2013' +>>>>>>> b09212e... adding ename to statout with PRINT_COMPON write(iout,*)'compiled by czarek@piasek3' write(iout,*)'OS name: Linux ' write(iout,*)'OS release: 2.6.32-42-generic ' diff --git a/source/unres/src_MD/geomout.F b/source/unres/src_MD/geomout.F index 69d7802..712a3e3 100644 --- a/source/unres/src_MD/geomout.F +++ b/source/unres/src_MD/geomout.F @@ -444,6 +444,12 @@ c----------------------------------------------------------------- line2=' ' endif if (print_compon) then + if(itime.eq.0) then + write(format,'(a1,a4,a1,a4,a10)') "(",format1,",",format2, + & ",20a12)" + write (istat,format) "#","", + & (ename(print_order(i)),i=1,nprint_ene) + endif write(format,'(a1,a4,a1,a4,a10)') "(",format1,",",format2, & ",20f12.3)" write (istat,format) line1,line2, -- 1.7.9.5