From 965bab0aec50be3337bb76dca75b392c685a2ab5 Mon Sep 17 00:00:00 2001 From: Tjerk Straatsma Date: Fri, 28 Apr 2000 18:02:50 +0000 Subject: [PATCH] lsx fix --- src/analyz/ana_task.F | 6 +++--- src/analyz/ana_wtfram.F | 4 +++- 2 files changed, 6 insertions(+), 4 deletions(-) diff --git a/src/analyz/ana_task.F b/src/analyz/ana_task.F index fa14833077..90f25f5e8f 100644 --- a/src/analyz/ana_task.F +++ b/src/analyz/ana_task.F @@ -1,6 +1,6 @@ subroutine ana_task c -c $Id: ana_task.F,v 1.20 2000-04-27 16:11:25 d3j191 Exp $ +c $Id: ana_task.F,v 1.21 2000-04-28 18:02:50 d3j191 Exp $ c implicit none c @@ -348,7 +348,7 @@ c if(ana_rdfram(dbl_mb(i_xdat),int_mb(i_idat),dbl_mb(i_wdat))) then nread=nread+1 if(nread.lt.ifrfr) goto 3 - if(nframe.eq.(nframe/ifrsk)*ifrsk) then + if(nframe.eq.(nframe/ifrsk)*ifrsk.and.lsx) then call super(dbl_mb(i_xdat+ifr-1),int_mb(i_idat+ifr-1),num,msa, + dbl_mb(i_xref),dbl_mb(i_wt),dbl_mb(i_xrms),nsa,msa,.true., + rms0,rms1) @@ -364,7 +364,7 @@ c write(*,'(a)') ' Closing trj file ' close(unit=lfnsup) write(*,'(/,a,i10,a,a)') ' Superimposed ',nwrit,' frames to ', - + filcop(1:index(filcop,' ')-1) + + filsup(1:index(filsup,' ')-1) lsonly=.false. endif c diff --git a/src/analyz/ana_wtfram.F b/src/analyz/ana_wtfram.F index 0a73c1e952..d80a2ca1f5 100644 --- a/src/analyz/ana_wtfram.F +++ b/src/analyz/ana_wtfram.F @@ -1,6 +1,6 @@ subroutine ana_wtfram(iunit,fmt,x,sgmnam,w,isel) c -c $Id: ana_wtfram.F,v 1.9 2000-04-27 16:11:25 d3j191 Exp $ +c $Id: ana_wtfram.F,v 1.10 2000-04-28 18:02:50 d3j191 Exp $ c implicit none c @@ -164,6 +164,7 @@ c endif c if(fmt.eq.'frm') then + if(lsx) then write(iunit,7001) 7001 format(/,'Geometry {') do 9 i=1,nsa @@ -173,6 +174,7 @@ c write(iunit,7003) 7003 format('}') endif + endif c endif c