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Merge branch 'devel' of mmka.chem.univ.gda.pl:unres into devel
2015-06-24
Dawid Jagiela
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
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2015-06-24
Dawid Jagiela
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
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2015-06-24
Dawid Jagiela
removed uninitialized ghalf from equation
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2015-06-24
Dawid Jagiela
removed uninitialized ghalf from equation
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2015-05-26
Dawid Jagiela
removed obsolite code in ssMD.F files
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2015-05-26
Dawid Jagiela
removed obsolite code in ssMD.F files
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2015-05-06
Dawid Jagiela
fixed install binary paths
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2015-05-06
Dawid Jagiela
fixed install binary paths
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2015-04-05
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
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2015-04-05
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
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2015-04-05
Dawid Jagiela
added Force-Fields descriptions in exe filenames
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2015-04-05
Dawid Jagiela
added Force-Fields descriptions in exe filenames
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2014-11-06
Dawid Jagiela
fixed src_MD_DFA ala10 ctest
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2014-11-06
Dawid Jagiela
fixed src_MD_DFA ala10 ctest
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2014-11-06
Dawid Jagiela
1) changes for FindMPI macro in source/unres/src_MD_DFA
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2014-11-06
Dawid Jagiela
1) changes for FindMPI macro in source/unres/src_MD_DFA
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2014-11-05
Dawid Jagiela
fixed marge problem
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2014-11-05
Dawid Jagiela
fixed marge problem
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2014-11-05
Dawid Jagiela
Merge branch 'prerelease-3.2.1' into devel
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2014-11-05
Dawid Jagiela
Merge branch 'prerelease-3.2.1' into devel
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2014-11-05
Dawid Jagiela
Merge branch 'prerelease-3.2.1' of mmka:unres into...
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2014-11-05
Dawid Jagiela
Merge branch 'prerelease-3.2.1' of mmka:unres into...
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2014-11-05
Dawid Jagiela
ctest ala10 binary location fix
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2014-11-05
Dawid Jagiela
ctest ala10 binary location fix
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2014-10-31
Dawid Jagiela
fix for multiple MPI include paths passed by MPI wrapper
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2014-10-31
Dawid Jagiela
fix for multiple MPI include paths passed by MPI wrapper
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2014-10-27
Dawid Jagiela
1) binaries are compiled into /bin subdirectory of...
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2014-10-27
Dawid Jagiela
1) binaries are compiled into /bin subdirectory of...
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2014-10-26
Dawid Jagiela
1) Threading cleanup in src_CSA & src_CSA_DiL
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2014-10-26
Dawid Jagiela
1) Threading cleanup in src_CSA & src_CSA_DiL
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2014-10-26
Dawid Jagiela
switched to CMake FindMPI module in all source files...
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2014-10-26
Dawid Jagiela
switched to CMake FindMPI module in all source files...
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2014-10-26
Dawid Jagiela
switched to CMake FindMPI module in all source files...
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2014-10-26
Dawid Jagiela
switched to CMake FindMPI module in all source files...
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2014-10-26
Dawid Jagiela
added missing preprocessor flags for prng_32.F
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2014-10-26
Dawid Jagiela
added missing preprocessor flags for prng_32.F
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2014-10-25
Dawid Jagiela
prng.f unification
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2014-10-25
Dawid Jagiela
prng.f unification
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2014-10-16
Dawid Jagiela
64-bit fix for unres/CSA and unres/CSA_DiL code
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2014-10-16
Dawid Jagiela
64-bit fix for unres/CSA and unres/CSA_DiL code
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2014-07-23
Dawid Jagiela
added "make install" support for: unres (MD, MD-M,...
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2014-07-23
Dawid Jagiela
added "make install" support for: unres (MD, MD-M,...
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2014-04-25
Dawid Jagiela
1) added warnings suppression if find_package(MPI)...
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2014-04-25
Dawid Jagiela
1) added warnings suppression if find_package(MPI)...
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2014-04-25
Dawid Jagiela
1) added warnings suppression if find_package(MPI)...
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2014-04-25
Dawid Jagiela
1) added warnings suppression if find_package(MPI)...
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2013-11-06
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
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2013-11-06
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
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2013-11-06
Dawid Jagiela
junk files cleanup
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2013-11-06
Dawid Jagiela
junk files cleanup
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2013-11-05
Dawid Jagiela
deleted: cluster/wham/src-M/permut.o
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2013-11-05
Dawid Jagiela
deleted: cluster/wham/src-M/permut.o
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2013-09-22
Dawid Jagiela
show_UNRES.py - large loops speedup by using xrange
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2013-09-22
Dawid Jagiela
show_UNRES.py - large loops speedup by using xrange
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2013-09-02
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
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2013-09-02
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
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2013-09-02
Dawid Jagiela
resolved conflicts in: source/unres/src_MD/CMakeLists.txt
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2013-09-02
Dawid Jagiela
resolved conflicts in: source/unres/src_MD/CMakeLists.txt
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2013-08-31
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
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2013-08-31
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
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2013-08-23
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
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2013-08-23
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
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2013-08-23
Dawid Jagiela
Fix to use native system xdr headers
Signed-off-by:
Dawid Jagiela
<lightnir@chem.univ.gda.pl>
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2013-08-23
Dawid Jagiela
Fix to use native system xdr headers
Signed-off-by:
Dawid Jagiela
<lightnir@chem.univ.gda.pl>
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2013-07-25
Dawid Jagiela
test name changed for unres MD DFA version
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2013-07-25
Dawid Jagiela
test name changed for unres MD DFA version
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2013-07-25
Dawid Jagiela
test name changed for unres MD DFA version
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2013-07-25
Dawid Jagiela
test name changed for unres MD DFA version
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2013-07-25
Dawid Jagiela
Merge branch 'prerelease-3.2.1' into devel
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2013-07-25
Dawid Jagiela
Merge branch 'prerelease-3.2.1' into devel
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2013-07-25
Dawid Jagiela
Merge branch 'prerelease-3.2.1' into devel
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2013-07-25
Dawid Jagiela
Merge branch 'prerelease-3.2.1' into devel
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2013-07-25
Dawid Jagiela
fixed WHAM for gfortran: src/energy_p_new.F
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2013-07-25
Dawid Jagiela
fixed WHAM for gfortran: src/energy_p_new.F
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2013-07-25
Dawid Jagiela
fixed WHAM for gfortran: src/energy_p_new.F
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2013-07-25
Dawid Jagiela
fixed WHAM for gfortran: src/energy_p_new.F
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2013-04-18
Dawid Jagiela
restructured examples
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2013-04-18
Dawid Jagiela
restructured examples
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2013-04-18
Dawid Jagiela
restructured examples
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2013-04-18
Dawid Jagiela
restructured examples
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2013-04-15
Dawid Jagiela
changed SCCORPAR to shelly potentials in GAB & 12LY...
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2013-04-15
Dawid Jagiela
changed SCCORPAR to shelly potentials in GAB & 12LY...
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2013-04-15
Dawid Jagiela
changed SCCORPAR to shelly potentials in GAB & 12LY...
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2013-04-15
Dawid Jagiela
changed SCCORPAR to shelly potentials in GAB & 12LY...
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2013-04-12
Dawid Jagiela
added default preprocessor flags for unknown compilers
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2013-04-12
Dawid Jagiela
added default preprocessor flags for unknown compilers
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2013-04-12
Dawid Jagiela
added default preprocessor flags for unknown compilers
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2013-04-12
Dawid Jagiela
added default preprocessor flags for unknown compilers
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2013-04-11
Dawid Jagiela
added REMD/MREMD input generation in UNRESInpGen.py
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2013-04-11
Dawid Jagiela
added REMD/MREMD input generation in UNRESInpGen.py
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2013-04-11
Dawid Jagiela
added REMD/MREMD input generation in UNRESInpGen.py
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2013-04-11
Dawid Jagiela
added REMD/MREMD input generation in UNRESInpGen.py
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2013-03-07
Dawid Jagiela
added OVERLAP and NOSEARCHSC options in UNRESInpGen.py
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2013-03-07
Dawid Jagiela
added OVERLAP and NOSEARCHSC options in UNRESInpGen.py
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2013-03-07
Dawid Jagiela
added OVERLAP and NOSEARCHSC options in UNRESInpGen.py
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2013-03-07
Dawid Jagiela
added OVERLAP and NOSEARCHSC options in UNRESInpGen.py
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2013-03-06
Dawid Jagiela
Added minimazation support to UNRESInpGen.py
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2013-03-06
Dawid Jagiela
Added minimazation support to UNRESInpGen.py
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2013-03-06
Dawid Jagiela
Added minimazation support to UNRESInpGen.py
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2013-03-06
Dawid Jagiela
Added minimazation support to UNRESInpGen.py
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