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Merge branch 'master' of mmka.chem.univ.gda.pl:unres
[unres.git]
/
source
/
xdrfpdb
/
src
/
2017-09-25
Cezary Czaplewski
Merge branch 'prerelease-3.2.1'
tree
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commitdiff
2017-09-25
Cezary Czaplewski
Merge branch 'prerelease-3.2.1'
tree
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commitdiff
2016-05-26
Cezary Czaplewski
cmake and ctest corrections for mpi and srun
tree
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commitdiff
2016-05-26
Cezary Czaplewski
cmake and ctest corrections for mpi and srun
tree
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commitdiff
2016-04-25
Cezary Czaplewski
ctest correct path for xdrf2* tools
tree
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commitdiff
2016-04-25
Cezary Czaplewski
ctest correct path for xdrf2* tools
tree
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commitdiff
2016-03-18
Cezary Czaplewski
arcos = 0.5D0*(PI-DSIGN(1.0D0,X)*PI)
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commitdiff
2016-03-18
Cezary Czaplewski
arcos = 0.5D0*(PI-DSIGN(1.0D0,X)*PI)
tree
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commitdiff
2016-02-04
Adam Liwo
Fixed arcos
tree
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commitdiff
2016-02-04
Adam Liwo
Fixed arcos
tree
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commitdiff
2015-05-06
Dawid Jagiela
fixed install binary paths
tree
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commitdiff
2015-05-06
Dawid Jagiela
fixed install binary paths
tree
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commitdiff
2014-11-28
Adam Liwo
Trying to bring files - continued
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commitdiff
2014-11-28
Adam Liwo
Trying to bring files - continued
tree
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commitdiff
2014-11-27
Adam Liwo
Fixed Makefiles, handle all force fields thru appropria...
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commitdiff
2014-11-27
Adam Liwo
Fixed Makefiles, handle all force fields thru appropria...
tree
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commitdiff
2014-10-27
Dawid Jagiela
1) binaries are compiled into /bin subdirectory of...
tree
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commitdiff
2014-10-27
Dawid Jagiela
1) binaries are compiled into /bin subdirectory of...
tree
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commitdiff
2013-05-07
Cezary Czaplewski
some corrections in xdrf2pdb-m for dyn_ss
tree
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commitdiff
2013-05-07
Cezary Czaplewski
some corrections in xdrf2pdb-m for dyn_ss
tree
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commitdiff
2013-04-30
Cezary Czaplewski
testing ssbond in cx
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commitdiff
2013-04-30
Cezary Czaplewski
testing ssbond in cx
tree
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commitdiff
2012-06-27
Dawid Jagiela
1) added ctests for xdrf2pdb-m 2) cleanup
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commitdiff
2012-06-27
Dawid Jagiela
1) added ctests for xdrf2pdb-m 2) cleanup
tree
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commitdiff
2012-06-18
Dawid Jagiela
resolving merge conflicts
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commitdiff
2012-06-18
Dawid Jagiela
resolving merge conflicts
tree
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commitdiff
2012-06-18
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
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commitdiff
2012-06-18
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2012-06-18
Dawid Jagiela
removed MPI form CMakeLists.txt in xdrfpdb
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commitdiff
2012-06-18
Dawid Jagiela
removed MPI form CMakeLists.txt in xdrfpdb
tree
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commitdiff
2012-06-14
Adam Liwo
6/14/12 by Adam: unnecessary files deleted
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commitdiff
2012-06-14
Adam Liwo
6/14/12 by Adam: unnecessary files deleted
tree
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commitdiff
2012-06-11
Adam Liwo
6/11/2012 by Adam
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commitdiff
2012-06-11
Adam Liwo
6/11/2012 by Adam
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commitdiff
2012-06-11
Dawid Jagiela
fixed iblnk in xdrf2ang
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commitdiff
2012-06-11
Dawid Jagiela
fixed iblnk in xdrf2ang
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commitdiff
2012-06-11
Dawid Jagiela
added ctests for xdrf2ang
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commitdiff
2012-06-11
Dawid Jagiela
added ctests for xdrf2ang
tree
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commitdiff
2012-06-11
Dawid Jagiela
fix of malloc in xdrf2pdb-m
tree
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commitdiff
2012-06-11
Dawid Jagiela
fix of malloc in xdrf2pdb-m
tree
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commitdiff
2012-06-11
Dawid Jagiela
fix of xdrf2ang
tree
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commitdiff
2012-06-11
Dawid Jagiela
fix of xdrf2ang
tree
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commitdiff
2012-06-11
Adam Liwo
6/11/2012 Update of the CSA version
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commitdiff
2012-06-11
Adam Liwo
6/11/2012 Update of the CSA version
tree
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commitdiff
2012-06-05
Dawid Jagiela
xdrf2pdb programs doesn't require MPI so MPI-flags...
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commitdiff
2012-06-05
Dawid Jagiela
xdrf2pdb programs doesn't require MPI so MPI-flags...
tree
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commitdiff
2012-06-05
Dawid Jagiela
added ctests for xdrf2pdb (one & three letter sequence )
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commitdiff
2012-06-05
Dawid Jagiela
added ctests for xdrf2pdb (one & three letter sequence )
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commitdiff
2012-05-22
Dawid Jagiela
integer overflow fixed in xdrf2x.F
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commitdiff
2012-05-22
Dawid Jagiela
integer overflow fixed in xdrf2x.F
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commitdiff
2012-05-22
Dawid Jagiela
more xdrfpdb fixes for gfortran build
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commitdiff
2012-05-22
Dawid Jagiela
more xdrfpdb fixes for gfortran build
tree
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commitdiff
2012-05-22
Dawid Jagiela
gfortran patch for xdrf2ang.f
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commitdiff
2012-05-22
Dawid Jagiela
gfortran patch for xdrf2ang.f
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commitdiff
2012-05-14
Dawid Jagiela
1) moved xdrf library to source/lib/xdrf - CMake files...
tree
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commitdiff
2012-05-14
Dawid Jagiela
1) moved xdrf library to source/lib/xdrf - CMake files...
tree
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commitdiff
2012-03-21
Adam Liwo
xdrf2pdb-M.F: corrected order of reading
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commitdiff
2012-03-21
Adam Liwo
xdrf2pdb-M.F: corrected order of reading
tree
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commitdiff
2012-02-25
Dawid Jagieła
added source code
v.3.0
tree
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commitdiff
2012-02-25
Dawid Jagieła
added source code
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commitdiff