mmka.chem.univ.gda.pl Git - unres.git/search

2015-04-05	Dawid Jagiela	added Force-Fields descriptions in exe filenames	commit \| commitdiff \| tree
2014-11-06	Dawid Jagiela	fixed src_MD_DFA ala10 ctest	commit \| commitdiff \| tree
2014-11-06	Dawid Jagiela	1) changes for FindMPI macro in source/unres/src_MD_DFA	commit \| commitdiff \| tree
2014-11-05	Dawid Jagiela	fixed marge problem	commit \| commitdiff \| tree
2014-11-05	Dawid Jagiela	Merge branch 'prerelease-3.2.1' into devel	commit \| commitdiff \| tree
2014-11-05	Dawid Jagiela	Merge branch 'prerelease-3.2.1' of mmka:unres into...	commit \| commitdiff \| tree
2014-11-05	Dawid Jagiela	ctest ala10 binary location fix	commit \| commitdiff \| tree
2014-11-05	Dawid Jagieła	Added CMake build instructions	commit \| commitdiff \| tree
2014-10-31	Dawid Jagiela	fix for multiple MPI include paths passed by MPI wrapper	commit \| commitdiff \| tree
2014-10-27	Dawid Jagiela	1) binaries are compiled into /bin subdirectory of...	commit \| commitdiff \| tree
2014-10-26	Dawid Jagiela	1) Threading cleanup in src_CSA & src_CSA_DiL	commit \| commitdiff \| tree
2014-10-26	Dawid Jagiela	switched to CMake FindMPI module in all source files...	commit \| commitdiff \| tree
2014-10-26	Dawid Jagiela	switched to CMake FindMPI module in all source files...	commit \| commitdiff \| tree
2014-10-26	Dawid Jagiela	added missing preprocessor flags for prng_32.F	commit \| commitdiff \| tree
2014-10-25	Dawid Jagiela	prng.f unification	commit \| commitdiff \| tree
2014-10-16	Dawid Jagiela	64-bit fix for unres/CSA and unres/CSA_DiL code	commit \| commitdiff \| tree
2014-10-14	Dawid Jagieła	Merge branch 'prerelease-3.2.1' of mmka:unres into...	commit \| commitdiff \| tree
2014-10-14	Dawid Jagieła	fixed CMake variable typo	commit \| commitdiff \| tree
2014-07-23	Dawid Jagiela	added "make install" support for: unres (MD, MD-M,...	commit \| commitdiff \| tree
2014-06-03	Dawid Jagieła	fixed typo	commit \| commitdiff \| tree
2014-06-03	Dawid Jagieła	fix for MD tests in E0LL2Y FF	commit \| commitdiff \| tree
2014-06-03	Dawid Jagieła	fixed binary name generation in unres/src_MD-M	commit \| commitdiff \| tree
2014-06-03	Dawid Jagieła	kolejne porzadki	commit \| commitdiff \| tree
2014-06-03	Dawid Jagieła	Merge branch 'devel' of mmka:unres into devel	commit \| commitdiff \| tree
2014-06-03	Dawid Jagieła	wywalka smieci - ludzie budujcie w katalogu build!	commit \| commitdiff \| tree
2014-04-25	Dawid Jagiela	1) added warnings suppression if find_package(MPI)...	commit \| commitdiff \| tree
2014-04-25	Dawid Jagiela	1) added warnings suppression if find_package(MPI)...	commit \| commitdiff \| tree
2014-04-15	Dawid Jagieła	DON'T DELETE THE "git-daemon-export-ok" FILE!!!	commit \| commitdiff \| tree
2013-11-06	Dawid Jagiela	Merge branch 'devel' of mmka:unres into devel	commit \| commitdiff \| tree
2013-11-06	Dawid Jagiela	junk files cleanup	commit \| commitdiff \| tree
2013-11-05	Dawid Jagiela	deleted: cluster/wham/src-M/permut.o	commit \| commitdiff \| tree
2013-09-22	Dawid Jagiela	show_UNRES.py - large loops speedup by using xrange	commit \| commitdiff \| tree
2013-09-02	Dawid Jagiela	Merge branch 'devel' of mmka:unres into devel	commit \| commitdiff \| tree
2013-09-02	Dawid Jagiela	resolved conflicts in: source/unres/src_MD/CMakeLists.txt	commit \| commitdiff \| tree
2013-08-31	Dawid Jagiela	Merge branch 'devel' of mmka:unres into devel	commit \| commitdiff \| tree
2013-08-23	Dawid Jagiela	Merge branch 'devel' of mmka:unres into devel	commit \| commitdiff \| tree
2013-08-23	Dawid Jagiela	Fix to use native system xdr headers Signed-off-by: Dawid Jagiela <lightnir@chem.univ.gda.pl>	commit \| commitdiff \| tree
2013-07-25	Dawid Jagiela	test name changed for unres MD DFA version	commit \| commitdiff \| tree
2013-07-25	Dawid Jagiela	test name changed for unres MD DFA version	commit \| commitdiff \| tree
2013-07-25	Dawid Jagiela	Merge branch 'prerelease-3.2.1' into devel	commit \| commitdiff \| tree
2013-07-25	Dawid Jagiela	Merge branch 'prerelease-3.2.1' into devel	commit \| commitdiff \| tree
2013-07-25	Dawid Jagiela	fixed WHAM for gfortran: src/energy_p_new.F	commit \| commitdiff \| tree
2013-07-25	Dawid Jagiela	fixed WHAM for gfortran: src/energy_p_new.F	commit \| commitdiff \| tree
2013-04-18	Dawid Jagiela	restructured examples	commit \| commitdiff \| tree
2013-04-18	Dawid Jagiela	restructured examples	commit \| commitdiff \| tree
2013-04-15	Dawid Jagiela	changed SCCORPAR to shelly potentials in GAB & 12LY...	commit \| commitdiff \| tree
2013-04-15	Dawid Jagiela	changed SCCORPAR to shelly potentials in GAB & 12LY...	commit \| commitdiff \| tree
2013-04-12	Dawid Jagiela	added default preprocessor flags for unknown compilers	commit \| commitdiff \| tree
2013-04-12	Dawid Jagiela	added default preprocessor flags for unknown compilers	commit \| commitdiff \| tree
2013-04-11	Dawid Jagiela	added REMD/MREMD input generation in UNRESInpGen.py	commit \| commitdiff \| tree
2013-04-11	Dawid Jagiela	added REMD/MREMD input generation in UNRESInpGen.py	commit \| commitdiff \| tree
2013-03-07	Dawid Jagiela	added OVERLAP and NOSEARCHSC options in UNRESInpGen.py	commit \| commitdiff \| tree
2013-03-07	Dawid Jagiela	added OVERLAP and NOSEARCHSC options in UNRESInpGen.py	commit \| commitdiff \| tree
2013-03-06	Dawid Jagiela	Added minimazation support to UNRESInpGen.py	commit \| commitdiff \| tree
2013-03-06	Dawid Jagiela	Added minimazation support to UNRESInpGen.py	commit \| commitdiff \| tree
2013-03-05	Dawid Jagiela	added glicyne support in show_UNRES.py	commit \| commitdiff \| tree
2013-03-05	Dawid Jagiela	added glicyne support in show_UNRES.py	commit \| commitdiff \| tree
2013-02-28	Dawid Jagiela	Merge branch 'devel' of mmka:unres into devel	commit \| commitdiff \| tree
2013-02-28	Dawid Jagiela	Merge branch 'devel' of mmka:unres into devel	commit \| commitdiff \| tree
2013-02-28	Dawid Jagiela	fixed ray-tracing bug and size of ellipoids in show_UNRES.py	commit \| commitdiff \| tree
2013-02-28	Dawid Jagiela	fixed ray-tracing bug and size of ellipoids in show_UNRES.py	commit \| commitdiff \| tree
2013-02-10	Dawid Jagiela	added UNRES visualization plugin for PyMOL	commit \| commitdiff \| tree
2013-02-10	Dawid Jagiela	added UNRES visualization plugin for PyMOL	commit \| commitdiff \| tree
2013-02-06	Dawid Jagiela	added pymol/UNRESInpGen.py - generates inputs for MD	commit \| commitdiff \| tree
2013-02-06	Dawid Jagiela	added pymol/UNRESInpGen.py - generates inputs for MD	commit \| commitdiff \| tree
2013-01-10	Dawid Jagiela	fixed missing closing bracket	commit \| commitdiff \| tree
2013-01-10	Dawid Jagiela	fixed missing closing bracket	commit \| commitdiff \| tree
2013-01-10	Dawid Jagiela	WHAM -DISNAN fix	commit \| commitdiff \| tree
2013-01-10	Dawid Jagiela	WHAM -DISNAN fix	commit \| commitdiff \| tree
2013-01-10	Dawid Jagiela	added UNRES_MD_FF setting for WHAM in (wham & cluster...	commit \| commitdiff \| tree
2013-01-10	Dawid Jagiela	added UNRES_MD_FF setting for WHAM in (wham & cluster...	commit \| commitdiff \| tree
2012-12-19	Dawid Jagiela	Merge branch 'prerelease-3.2.1' of mmka:unres into...	commit \| commitdiff \| tree
2012-12-19	Dawid Jagiela	Merge branch 'prerelease-3.2.1' of mmka:unres into...	commit \| commitdiff \| tree
2012-12-19	Dawid Jagiela	poprawki w COMMONAch	commit \| commitdiff \| tree
2012-12-19	Dawid Jagiela	poprawki w COMMONAch	commit \| commitdiff \| tree
2012-11-23	Dawid Jagiela	gfortran fixes in local_move.f, energy_p_new.F & initialize_p.F	commit \| commitdiff \| tree
2012-11-23	Dawid Jagiela	gfortran fixes in local_move.f, energy_p_new.F & initialize_p.F	commit \| commitdiff \| tree
2012-11-23	Dawid Jagiela	gfortran foxes in src_CSA/energy_p_new_barrier.F, src_CSA_Di...	commit \| commitdiff \| tree
2012-11-23	Dawid Jagiela	gfortran foxes in src_CSA/energy_p_new_barrier.F, src_CSA_Di...	commit \| commitdiff \| tree
2012-11-23	Dawid Jagiela	fixed typos in initialize_p.F	commit \| commitdiff \| tree
2012-11-23	Dawid Jagiela	fixed typos in initialize_p.F	commit \| commitdiff \| tree
2012-11-23	Dawid Jagiela	gfortran fixes in src_CSA for initialize_p.F	commit \| commitdiff \| tree
2012-11-23	Dawid Jagiela	gfortran fixes in src_CSA for initialize_p.F	commit \| commitdiff \| tree
2012-11-23	Dawid Jagiela	gfortran fixes for src_MD-M	commit \| commitdiff \| tree
2012-11-23	Dawid Jagiela	gfortran fixes for src_MD-M	commit \| commitdiff \| tree
2012-11-23	Dawid Jagiela	fix 80 column in initialize_p.F	commit \| commitdiff \| tree
2012-11-23	Dawid Jagiela	fix 80 column in initialize_p.F	commit \| commitdiff \| tree
2012-11-23	Dawid Jagiela	gfortran fixes in initialize_p.F for src_MD-M	commit \| commitdiff \| tree
2012-11-23	Dawid Jagiela	gfortran fixes in initialize_p.F for src_MD-M	commit \| commitdiff \| tree
2012-11-23	Dawid Jagiela	alignment fixes in COMMON.CHAIN for src_MD-M	commit \| commitdiff \| tree
2012-11-23	Dawid Jagiela	alignment fixes in COMMON.CHAIN for src_MD-M	commit \| commitdiff \| tree
2012-11-23	Dawid Jagiela	alignment fixes in COMMON.CHAIN for src_MD-M	commit \| commitdiff \| tree
2012-11-23	Dawid Jagiela	alignment fixes in COMMON.CHAIN for src_MD-M	commit \| commitdiff \| tree
2012-11-23	Dawid Jagiela	gfortran fixes in initialize_p.F for MPI	commit \| commitdiff \| tree
2012-11-23	Dawid Jagiela	gfortran fixes in initialize_p.F for MPI	commit \| commitdiff \| tree
2012-11-23	Dawid Jagiela	some gfortran warning fixes	commit \| commitdiff \| tree
2012-11-23	Dawid Jagiela	some gfortran warning fixes	commit \| commitdiff \| tree
2012-11-23	Dawid Jagiela	some gfortran warning fixes	commit \| commitdiff \| tree
2012-11-23	Dawid Jagiela	some gfortran warning fixes	commit \| commitdiff \| tree
2012-11-23	Dawid Jagiela	force legacy standard for gfortran	commit \| commitdiff \| tree
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