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Viewing changes to src/smd/graveyard/smd-serial/list_excld.f

  • Committer: Package Import Robot
  • Author(s): Michael Banck, Michael Banck, Daniel Leidert
  • Date: 2012-02-09 20:02:41 UTC
  • mfrom: (1.1.1)
  • Revision ID: package-import@ubuntu.com-20120209200241-jgk03qfsphal4ug2
Tags: 6.1-1
http://bugs.debian.org/632611
https://launchpad.net/bugs/791308
* New upstream release.

[ Michael Banck ]
* debian/patches/02_makefile_flags.patch: Updated.
* debian/patches/02_makefile_flags.patch: Use internal blas and lapack code.
* debian/patches/02_makefile_flags.patch: Define GCC4 for LINUX and LINUX64
  (Closes: #632611 and LP: #791308).
* debian/control (Build-Depends): Added openssh-client.
* debian/rules (USE_SCALAPACK, SCALAPACK): Removed variables (Closes:
  #654658).
* debian/rules (LIBDIR, USE_MPIF4, ARMCI_NETWORK): New variables.
* debian/TODO: New file.
* debian/control (Build-Depends): Removed libblas-dev, liblapack-dev and
  libscalapack-mpi-dev.
* debian/patches/04_show_testsuite_diff_output.patch: New patch, shows the
  diff output for failed tests.
* debian/patches/series: Adjusted.
* debian/testsuite: Optionally run all tests if "all" is passed as option.
* debian/rules: Run debian/testsuite with "all" if DEB_BUILD_OPTIONS
  contains "checkall".

[ Daniel Leidert ]
* debian/control: Used wrap-and-sort. Added Vcs-Svn and Vcs-Browser fields.
  (Priority): Moved to extra according to policy section 2.5.
  (Standards-Version): Bumped to 3.9.2.
  (Description): Fixed a typo.
* debian/watch: Added.
* debian/patches/03_hurd-i386_define_path_max.patch: Added.
  - Define MAX_PATH if not defines to fix FTBFS on hurd.
* debian/patches/series: Adjusted.

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Lines of Context:
src/smd/graveyard/smd-serial/list_excld.f
 
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c $Id: list_excld.f 19707 2010-10-29 17:59:36Z d3y133 $
 
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      SUBROUTINE list_excld(ntype)
 
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      implicit none
 
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      include 'p_input.inc'
 
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      include 'p_array.inc'
 
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      include 'cm_atom.inc'
 
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      include 'cm_elst.inc'
 
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      integer i,j,iexcl,nelist,exclpair,nexcl
 
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      integer ntype,eatm
 
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      dimension iexcl(mxtype),exclpair(mxtype,mxtype)
 
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      do i=1,ntype
 
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       iexcl(i)=0
 
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      enddo
 
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      do i=1,ntype-1
 
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       iexcl(i)=0
 
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       do j=i+1,ntype
 
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        if(typmol(i).eq.typmol(j))then
 
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         iexcl(i)=iexcl(i)+1
 
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         if(iexcl(i).gt.mxtype)then
 
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          write(output,"(/,1x,'mxtype exceeded')")
 
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          stop
 
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         endif
 
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         exclpair(i,iexcl(i))=j-i
 
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        endif
 
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       enddo
 
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      enddo
 
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      nelist=0
 
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      do i=1,natms
 
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       epoint(i)=nelist+1
 
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       eatm=atmtype(i)
 
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       nexcl=iexcl(eatm)
 
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       if(nexcl.gt.0)then
 
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        do j=1,nexcl
 
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         nelist=nelist+1
 
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         if(nelist.gt.(mxatms*mxelist))then
 
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          write(output,"(/,1x,'mxatms*mxelist exceeded')")
 
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          stop
 
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         endif
 
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         if((nelist-epoint(i)+1).gt.mxnlist)then
 
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          write(output,"(/,1x,'mxnlist exceeded')")
 
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          stop
 
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         endif
 
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         elist(nelist)=i+exclpair(eatm,j)
 
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        enddo
 
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       endif
 
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      enddo
 
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      epoint(natms)=nelist+1
 
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      return
 
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      END