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Viewing changes to src/smd/smd-subgroups/print_output.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/smd-subgroups/print_output.f
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c
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c $Id: print_output.f,v 1.1 2008-04-18 17:48:13 marat Exp $
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c
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      SUBROUTINE print_output(istep,nprnt,ekin,ecoul,eshrt,ebond,eshel)
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      implicit none
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      include 'p_const.inc'
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      include 'p_input.inc'
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      include 'cm_temp.inc'
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      integer  istep,nprnt
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      real*8  ekin,ecoul,eshrt,ebond,eshel
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      real*8  stptmp,stpke,stppe,stpte
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      logical lnew
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      data lnew/.true./
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      save lnew
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      stptmp=2.0*ekin/boltzmann/degfree
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      stpke=ekin/convfct2
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      stppe=ecoul+eshrt+ebond+eshel
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      stpte=stppe+stpke
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      if(lnew)write(output,'(/,a12,8a12)')'    STEP    ',
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     $  '  TOTAL E.  ',' KINETIC E. ','POTENTIAL E.','  COUL. E.  ',
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     $  '   VDW E.   ','  BOND E.   ','  SHELL E.  ',' TEMPERATURE'
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      if(lnew)lnew=.false.
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      if(mod(istep,nprnt).eq.0)write(output,'(i12,8f12.4)')
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     $  istep,stpte,stpke,stppe,ecoul,eshrt,ebond,eshel,stptmp
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      return
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      END