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

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	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
2013-04-18	Dawid Jagiela	restructured examples	commit \| commitdiff \| tree
2013-04-15	Dawid Jagiela	changed SCCORPAR to shelly potentials in GAB & 12LY...	commit \| commitdiff \| tree
2013-04-12	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
2013-03-07	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
2013-03-05	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	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
2013-02-06	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	WHAM -DISNAN fix	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	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 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	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	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	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	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
2012-11-23	Dawid Jagiela	gfortran legacy standard enforcement	commit \| commitdiff \| tree
2012-11-07	Dawid Jagiela	force legacy standard for gfortran	commit \| commitdiff \| tree
2012-11-07	Dawid Jagiela	gfortran legacy standard enforcement	commit \| commitdiff \| tree
2012-11-05	Dawid Jagiela	alignment fix in src_MD COMMON.SCCOR	commit \| commitdiff \| tree
2012-11-05	Dawid Jagiela	alignment fixes in src_MD COMMONs	commit \| commitdiff \| tree
2012-10-31	Dawid Jagiela	fix tcpu function in cluster/wham for gfortran	commit \| commitdiff \| tree
2012-10-31	Dawid Jagiela	Merge branch 'devel' of mmka:unres into devel	commit \| commitdiff \| tree
2012-10-31	Dawid Jagiela	tcpu function fix for gfortran	commit \| commitdiff \| tree
2012-10-31	Dawid Jagiela	CMake makro cinfo.f fix	commit \| commitdiff \| tree
2012-10-31	Dawid Jagiela	Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...	commit \| commitdiff \| tree
2012-10-30	Dawid Jagiela	CMake unres/src_MIN missing sources fix	commit \| commitdiff \| tree
2012-10-07	Dawid Jagiela	removed CMake cache files from source - breaks CDash...	commit \| commitdiff \| tree
2012-09-20	Dawid Jagiela	Merge branch 'devel' of mmka:unres into devel	commit \| commitdiff \| tree
2012-09-20	Dawid Jagiela	fix broken gitweb	commit \| commitdiff \| tree
2012-08-20	Dawid Jagiela	added CMake build file for source/maxlik/src_CSA/	commit \| commitdiff \| tree
2012-08-20	Dawid Jagiela	1. cmake cinfo.f generation for all sources 2. deleted...	commit \| commitdiff \| tree
2012-07-19	Dawid Jagiela	Merge branch 'devel' of mmka:unres into devel	commit \| commitdiff \| tree
2012-07-19	Dawid Jagiela	cinfo.f generation and macro for unres MD	commit \| commitdiff \| tree
2012-07-06	Dawid Jagiela	Merge branch 'devel' of mmka:unres into devel	commit \| commitdiff \| tree
2012-07-06	Dawid Jagiela	added CMake install documentation	commit \| commitdiff \| tree
2012-07-06	Dawid Jagiela	Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...	commit \| commitdiff \| tree
2012-07-06	Dawid Jagiela	aditional MPI search lib path added	commit \| commitdiff \| tree
2012-06-27	Dawid Jagiela	1) added ctests for xdrf2pdb-m 2) cleanup	commit \| commitdiff \| tree
2012-06-27	Dawid Jagiela	fixed broken (by adasko) alignment in COMMON.SCCOR	commit \| commitdiff \| tree
2012-06-20	Dawid Jagiela	LAM/MPI boot ctest modification	commit \| commitdiff \| tree
2012-06-19	Dawid Jagiela	added -cpp flag to force preprocesing for all files...	commit \| commitdiff \| tree
2012-06-19	Dawid Jagiela	Moved ifdef MOMENT part from COMMON.CONTACTS to COMMON...	commit \| commitdiff \| tree
2012-06-18	Dawid Jagiela	enable compiler preprocesor flags for non-standard...	commit \| commitdiff \| tree
2012-06-18	Dawid Jagiela	added source/cluster/wham/src/gnmr1.f to cmake build	commit \| commitdiff \| tree
2012-06-18	Dawid Jagiela	added gnmr1.f to sources in cmake builds	commit \| commitdiff \| tree
2012-06-18	Dawid Jagiela	fixed merge conflict in readrtns_csa.F	commit \| commitdiff \| tree
2012-06-18	Dawid Jagiela	fixed source/xdrfpdb/src-M/xdrf2pdb-m.F	commit \| commitdiff \| tree
2012-06-18	Dawid Jagiela	fixed merge renamed source file: newconf.f is now newconf.F	commit \| commitdiff \| tree
2012-06-18	Dawid Jagiela	resolving merge conflicts	commit \| commitdiff \| tree
2012-06-18	Dawid Jagiela	fixed indent for gfortran build in source/unres/src_MD...	commit \| commitdiff \| tree
2012-06-18	Dawid Jagiela	Merge branch 'devel' of mmka:unres into devel	commit \| commitdiff \| tree
2012-06-18	Dawid Jagiela	removed MPI form CMakeLists.txt in xdrfpdb	commit \| commitdiff \| tree
2012-06-11	Dawid Jagiela	fixed iblnk in xdrf2ang	commit \| commitdiff \| tree
2012-06-11	Dawid Jagiela	added ctests for xdrf2ang	commit \| commitdiff \| tree
2012-06-11	Dawid Jagiela	fix of malloc in xdrf2pdb-m	commit \| commitdiff \| tree
2012-06-11	Dawid Jagiela	fix of xdrf2ang	commit \| commitdiff \| tree
2012-06-08	Dawid Jagiela	added ctest/1LE1_mremd_MD000.cx for xdrf2pdb-m testing	commit \| commitdiff \| tree
2012-06-05	Dawid Jagiela	xdrf2pdb programs doesn't require MPI so MPI-flags...	commit \| commitdiff \| tree
2012-06-05	Dawid Jagiela	added ctests for xdrf2pdb (one & three letter sequence )	commit \| commitdiff \| tree
2012-06-05	Dawid Jagiela	UNRES single MD for MPI ctest file permissions fix	commit \| commitdiff \| tree
2012-06-05	Dawid Jagiela	added MPI ctest for unres single MD	commit \| commitdiff \| tree
2012-05-27	Dawid Jagiela	compile_definitions workaround (cmake does not pass...	commit \| commitdiff \| tree
2012-05-27	Dawid Jagiela	included <stdio.h> in proc_proc.c	commit \| commitdiff \| tree
2012-05-27	Dawid Jagiela	sscanf EOF fix in source/wham/src-M/proc_proc.c	commit \| commitdiff \| tree
2012-05-27	Dawid Jagiela	closing ascii art frames in energy_p_new.F	commit \| commitdiff \| tree
2012-05-27	Dawid Jagiela	flags typo fix	commit \| commitdiff \| tree
2012-05-26	Dawid Jagiela	added header for proc_proc.c	commit \| commitdiff \| tree
2012-05-26	Dawid Jagiela	wham compinfo EOF fix	commit \| commitdiff \| tree
2012-05-26	Dawid Jagiela	EOF warning fix	commit \| commitdiff \| tree
2012-05-26	Dawid Jagiela	compinfo.c rewrite	commit \| commitdiff \| tree
2012-05-26	Dawid Jagiela	void cast on fgets & fscanf in compinfo.c	commit \| commitdiff \| tree
2012-05-26	Dawid Jagiela	compinfo.c warning supresion	commit \| commitdiff \| tree
2012-05-25	Dawid Jagiela	gfortran fix for cluster/wham/src build	commit \| commitdiff \| tree
2012-05-24	Dawid Jagiela	gfortran proc_proc.c build flags fix in source/cluster...	commit \| commitdiff \| tree
2012-05-22	Dawid Jagiela	integer overflow fixed in xdrf2x.F	commit \| commitdiff \| tree
2012-05-22	Dawid Jagiela	more xdrfpdb fixes for gfortran build	commit \| commitdiff \| tree
2012-05-22	Dawid Jagiela	gfortran patch for xdrf2ang.f	commit \| commitdiff \| tree
2012-05-20	Dawid Jagiela	added missing source cluster/wham/src-M	commit \| commitdiff \| tree
2012-05-20	Dawid Jagiela	cluster/wham hc.f gfortran fix	commit \| commitdiff \| tree
2012-05-20	Dawid Jagiela	include typo fixed + cleanup	commit \| commitdiff \| tree
2012-05-18	Dawid Jagiela	deleted: PARAM/1igd.cart~	commit \| commitdiff \| tree
2012-05-18	Dawid Jagiela	Merge branch 'devel' of mmka:unres into devel	commit \| commitdiff \| tree
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