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kolejne porzadki
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
junk files cleanup
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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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2013-09-02
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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2013-08-31
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
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
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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2013-04-18
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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2013-04-12
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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2013-03-07
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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2013-03-05
Dawid Jagiela
added glicyne support in show_UNRES.py
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2013-03-05
Dawid Jagiela
added glicyne support in show_UNRES.py
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2013-02-28
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
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2013-02-28
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
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2013-02-28
Dawid Jagiela
fixed ray-tracing bug and size of ellipoids in show_UNRES.py
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2013-02-28
Dawid Jagiela
fixed ray-tracing bug and size of ellipoids in show_UNRES.py
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2013-02-10
Dawid Jagiela
added UNRES visualization plugin for PyMOL
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2013-02-10
Dawid Jagiela
added UNRES visualization plugin for PyMOL
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2013-02-06
Dawid Jagiela
added pymol/UNRESInpGen.py - generates inputs for MD
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2013-02-06
Dawid Jagiela
added pymol/UNRESInpGen.py - generates inputs for MD
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2013-01-10
Dawid Jagiela
fixed missing closing bracket
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2013-01-10
Dawid Jagiela
fixed missing closing bracket
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2013-01-10
Dawid Jagiela
WHAM -DISNAN fix
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2013-01-10
Dawid Jagiela
WHAM -DISNAN fix
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2013-01-10
Dawid Jagiela
added UNRES_MD_FF setting for WHAM in (wham & cluster...
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2013-01-10
Dawid Jagiela
added UNRES_MD_FF setting for WHAM in (wham & cluster...
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2012-12-19
Dawid Jagiela
Merge branch 'prerelease-3.2.1' of mmka:unres into...
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2012-12-19
Dawid Jagiela
Merge branch 'prerelease-3.2.1' of mmka:unres into...
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2012-12-19
Dawid Jagiela
poprawki w COMMONAch
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2012-12-19
Dawid Jagiela
poprawki w COMMONAch
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2012-11-23
Dawid Jagiela
gfortran fixes in local_move.f, energy_p_new.F & initialize_p.F
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2012-11-23
Dawid Jagiela
gfortran fixes in local_move.f, energy_p_new.F & initialize_p.F
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2012-11-23
Dawid Jagiela
gfortran foxes in src_CSA/energy_p_new_barrier.F, src_CSA_Di...
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2012-11-23
Dawid Jagiela
gfortran foxes in src_CSA/energy_p_new_barrier.F, src_CSA_Di...
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2012-11-23
Dawid Jagiela
fixed typos in initialize_p.F
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2012-11-23
Dawid Jagiela
fixed typos in initialize_p.F
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2012-11-23
Dawid Jagiela
gfortran fixes in src_CSA for initialize_p.F
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2012-11-23
Dawid Jagiela
gfortran fixes in src_CSA for initialize_p.F
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2012-11-23
Dawid Jagiela
gfortran fixes for src_MD-M
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2012-11-23
Dawid Jagiela
gfortran fixes for src_MD-M
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2012-11-23
Dawid Jagiela
fix 80 column in initialize_p.F
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2012-11-23
Dawid Jagiela
fix 80 column in initialize_p.F
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2012-11-23
Dawid Jagiela
gfortran fixes in initialize_p.F for src_MD-M
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2012-11-23
Dawid Jagiela
gfortran fixes in initialize_p.F for src_MD-M
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2012-11-23
Dawid Jagiela
alignment fixes in COMMON.CHAIN for src_MD-M
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2012-11-23
Dawid Jagiela
alignment fixes in COMMON.CHAIN for src_MD-M
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2012-11-23
Dawid Jagiela
alignment fixes in COMMON.CHAIN for src_MD-M
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2012-11-23
Dawid Jagiela
alignment fixes in COMMON.CHAIN for src_MD-M
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2012-11-23
Dawid Jagiela
gfortran fixes in initialize_p.F for MPI
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2012-11-23
Dawid Jagiela
gfortran fixes in initialize_p.F for MPI
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2012-11-23
Dawid Jagiela
some gfortran warning fixes
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2012-11-23
Dawid Jagiela
some gfortran warning fixes
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2012-11-23
Dawid Jagiela
some gfortran warning fixes
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2012-11-23
Dawid Jagiela
some gfortran warning fixes
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2012-11-23
Dawid Jagiela
force legacy standard for gfortran
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2012-11-23
Dawid Jagiela
force legacy standard for gfortran
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2012-11-23
Dawid Jagiela
gfortran legacy standard enforcement
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2012-11-23
Dawid Jagiela
gfortran legacy standard enforcement
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2012-11-07
Dawid Jagiela
force legacy standard for gfortran
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2012-11-07
Dawid Jagiela
force legacy standard for gfortran
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2012-11-07
Dawid Jagiela
gfortran legacy standard enforcement
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2012-11-07
Dawid Jagiela
gfortran legacy standard enforcement
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2012-11-05
Dawid Jagiela
alignment fix in src_MD COMMON.SCCOR
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2012-11-05
Dawid Jagiela
alignment fix in src_MD COMMON.SCCOR
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2012-11-05
Dawid Jagiela
alignment fixes in src_MD COMMONs
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2012-11-05
Dawid Jagiela
alignment fixes in src_MD COMMONs
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2012-10-31
Dawid Jagiela
fix tcpu function in cluster/wham for gfortran
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2012-10-31
Dawid Jagiela
fix tcpu function in cluster/wham for gfortran
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2012-10-31
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
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2012-10-31
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
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2012-10-31
Dawid Jagiela
tcpu function fix for gfortran
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2012-10-31
Dawid Jagiela
tcpu function fix for gfortran
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2012-10-31
Dawid Jagiela
CMake makro cinfo.f fix
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2012-10-31
Dawid Jagiela
CMake makro cinfo.f fix
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2012-10-31
Dawid Jagiela
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
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2012-10-31
Dawid Jagiela
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
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2012-10-30
Dawid Jagiela
CMake unres/src_MIN missing sources fix
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2012-10-30
Dawid Jagiela
CMake unres/src_MIN missing sources fix
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2012-10-07
Dawid Jagiela
removed CMake cache files from source - breaks CDash...
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2012-10-07
Dawid Jagiela
removed CMake cache files from source - breaks CDash...
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2012-09-20
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
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2012-09-20
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
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