From: Cezary Czaplewski <czarek@chem.univ.gda.pl>
Date: Fri, 15 Feb 2013 00:50:59 +0000 (+0100)
Subject: adding ename to statout with PRINT_COMPON
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=c6fd97c713a2614e07e95984c9ee89f733e9a87d

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
---

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,