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Viewing changes to src/smd/smd-9-10-08/tool_rebox.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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src/smd/smd-9-10-08/tool_rebox.f
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c $Id: tool_rebox.f,v 1.1 2008-10-01 22:32:32 marat Exp $
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      SUBROUTINE tool_rebox(n,mxarray,latt,rlatt,aaa)
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      implicit none
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      include 'p_array.inc'
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      integer i,n,mxarray
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      real*8 rlatt(3,3),latt(3,3)
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      real*8 aaa(mxarray,3)
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      real*8 ssx,ssy,ssz,xss,yss,zss
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      do i=1,n
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       ssx=(rlatt(1,1)*aaa(i,1)+rlatt(1,2)*aaa(i,2)+rlatt(1,3)*aaa(i,3))
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       ssy=(rlatt(2,1)*aaa(i,1)+rlatt(2,2)*aaa(i,2)+rlatt(2,3)*aaa(i,3))
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       ssz=(rlatt(3,1)*aaa(i,1)+rlatt(3,2)*aaa(i,2)+rlatt(3,3)*aaa(i,3))
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       xss=ssx-nint(ssx)
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       yss=ssy-nint(ssy)
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       zss=ssz-nint(ssz)
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       aaa(i,1)=(latt(1,1)*xss+latt(1,2)*yss+latt(1,3)*zss)
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       aaa(i,2)=(latt(2,1)*xss+latt(2,2)*yss+latt(2,3)*zss)
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       aaa(i,3)=(latt(3,1)*xss+latt(3,2)*yss+latt(3,3)*zss)
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      enddo
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      return
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      END