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

2012-07-05	Dawid Jagiela	filename changes	commit \| commitdiff \| tree
2012-07-04	Dawid Jagiela	Better verbosity and format cleanup in bank update	commit \| commitdiff \| tree
2012-06-20	Dawid Jagiela	added CMake build + fixed gfortran build	commit \| commitdiff \| tree
2012-06-20	Dawid Jagiela	Merge branch 'devel' into feature-ga	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
2012-05-18	Dawid Jagiela	fixed ascii art frames in source/cluster/wham/src...	commit \| commitdiff \| tree
2012-05-18	Dawid Jagiela	Merge branch 'feature-cmake' into devel	commit \| commitdiff \| tree
2012-05-18	Dawid Jagiela	another ascii art frame fix	commit \| commitdiff \| tree
2012-05-18	Dawid Jagiela	fix for gfortran build of source/cluster/unres	commit \| commitdiff \| tree
2012-05-16	Dawid Jagiela	fixed typo	commit \| commitdiff \| tree
2012-05-16	Dawid Jagiela	added CMake files to build cluster/wham/src-M	commit \| commitdiff \| tree
2012-05-15	Dawid Jagiela	added missig wham/src-M source files to cmake build	commit \| commitdiff \| tree
2012-05-15	Dawid Jagiela	Added CMake files for building source/wham/src-M	commit \| commitdiff \| tree
2012-05-14	Dawid Jagiela	ascii frames closed: unres/src_MD-M/energy_p_new_barrier.F	commit \| commitdiff \| tree
2012-05-14	Dawid Jagiela	1) ASCII art frame fix in unres/src_MD-M/energy_p_new_barrier.F	commit \| commitdiff \| tree
2012-05-14	Dawid Jagiela	added cmake files to build source/wham/src under ifort	commit \| commitdiff \| tree
2012-05-14	Dawid Jagiela	fixed more typos	commit \| commitdiff \| tree
2012-05-14	Dawid Jagiela	fixed typo	commit \| commitdiff \| tree
2012-05-14	Dawid Jagiela	prng_32.F/prng.f fix for intel compiler	commit \| commitdiff \| tree
2012-05-14	Dawid Jagiela	1) moved xdrf library to source/lib/xdrf - CMake files...	commit \| commitdiff \| tree
2012-05-13	Dawid Jagiela	linking pthreads for unres/src_MIN	commit \| commitdiff \| tree
2012-05-12	Dawid Jagiela	modified: energy_p_new_barrier.F - closed ascii art...	commit \| commitdiff \| tree
2012-05-12	Dawid Jagiela	Additional MPI libraries search path added	commit \| commitdiff \| tree
2012-05-12	Dawid Jagiela	fix of production code that requires MPI	commit \| commitdiff \| tree
2012-05-11	Dawid Jagiela	added/modified CMake files for all subdirs in source...	commit \| commitdiff \| tree
2012-05-10	Dawid Jagiela	added piasek cluster specific compile conditioning...	commit \| commitdiff \| tree
2012-05-10	Dawid Jagiela	closing asci-art frames in energy_p_new_barrier.F files...	commit \| commitdiff \| tree
2012-05-10	Dawid Jagiela	fixes for unres/src_MIN build in ifort	commit \| commitdiff \| tree
2012-05-10	Dawid Jagiela	- added UNRES Multichain examples	commit \| commitdiff \| tree
2012-05-10	Dawid Jagiela	added 32/64-bit architecture detection	commit \| commitdiff \| tree
2012-05-10	Dawid Jagiela	deleted: source/unres/src_MD-M/xdrf_em64/libxdrf.m4~	commit \| commitdiff \| tree
2012-05-09	Dawid Jagiela	src_MD-M CMake build files + junkfiles cleanup	commit \| commitdiff \| tree
2012-05-08	Dawid Jagiela	deleted: CTestConfig.cmake	commit \| commitdiff \| tree
2012-05-08	Dawid Jagiela	fixed test_single_ala.sh to run binary from current...	commit \| commitdiff \| tree
2012-05-08	Dawid Jagiela	fixed "rm tmptmp" of notexisting file in compinfo.c	commit \| commitdiff \| tree
2012-05-08	Dawid Jagiela	fixed drop side on CTestConfig.cmake	commit \| commitdiff \| tree
2012-05-08	Dawid Jagiela	gfortran 4.5.2 (f95) compile definitions fix	commit \| commitdiff \| tree
2012-05-07	Dawid Jagiela	new gfortran fix	commit \| commitdiff \| tree
2012-05-07	Dawid Jagiela	fixed ctest/cmake files for src_MD build	commit \| commitdiff \| tree
2012-04-23	Dawid Jagiela	Added test MPI preprocessor compile definitions	commit \| commitdiff \| tree
2012-04-19	Dawid Jagiela	Revert "Revert "CMake file for xdrf library""	commit \| commitdiff \| tree
2012-04-19	Dawid Jagiela	Revert "CMake file for xdrf library"	commit \| commitdiff \| tree
2012-04-19	Dawid Jagiela	CMake file for xdrf library	commit \| commitdiff \| tree
2012-04-19	Dawid Jagiela	CMake project files added	commit \| commitdiff \| tree
2012-03-29	Dawid Jagiela	even more verbose swaping log	commit \| commitdiff \| tree
2012-03-29	Dawid Jagiela	more verbose swaping in bank	commit \| commitdiff \| tree
2012-03-14	Dawid Jagiela	csacutoff fix	commit \| commitdiff \| tree
2012-03-13	Dawid Jagiela	1) csacutoff log write fix 2) matrix input-template...	commit \| commitdiff \| tree
2012-03-12	Dawid Jagiela	Merge branch 'feature-ga' of mmka.chem.univ.gda.pl...	commit \| commitdiff \| tree
2012-03-12	Dawid Jagiela	modified Makefile for testing single peptide runs	commit \| commitdiff \| tree
2012-03-12	Dawid Jagiela	Merge branch 'feature-ga' of mmka:unres into feature-ga	commit \| commitdiff \| tree
2012-03-12	Dawid Jagiela	csacutoff is now calculated from avrage distance (avrd...	commit \| commitdiff \| tree
2012-03-09	Dawid Jagiela	1) code cleanup 2) added CalcAvgDist function	commit \| commitdiff \| tree
2012-03-07	Dawid Jagiela	- added input files for 2 peptides (1LE1, 1LY2) runs...	commit \| commitdiff \| tree
2012-03-07	Dawid Jagiela	linear csacutoff fix	commit \| commitdiff \| tree
2012-03-07	Dawid Jagiela	extended scope of search in GetNBest function	commit \| commitdiff \| tree
2012-03-07	Dawid Jagiela	modified: GA.f	commit \| commitdiff \| tree
2012-02-28	Dawid Jagiela	added Genetic Algorythm code in branch feature-ga	commit \| commitdiff \| tree

UNRESPACK 3.x

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