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

2020-03-27	Cezary Czaplewski	ctest dock srun	commit \| commitdiff \| tree
2020-03-26	Cezary Czaplewski	ctest dock 5D	commit \| commitdiff \| tree
2020-03-26	Cezary Czaplewski	update HCD-5D	commit \| commitdiff \| tree
2020-03-24	Cezary Czaplewski	5D update	commit \| commitdiff \| tree
2020-03-24	Cezary Czaplewski	src-HCD-5D update	commit \| commitdiff \| tree
2020-03-24	Cezary Czaplewski	make cp src-HCD-5D	commit \| commitdiff \| tree
2020-03-24	Cezary Czaplewski	copy src_MD-M-SAXS-homology src-HCD-5D	commit \| commitdiff \| tree
2020-03-22	Cezary Czaplewski	ctest dock wham ref max Cv	commit \| commitdiff \| tree
2020-03-22	Cezary Czaplewski	ctest rm n_ene	commit \| commitdiff \| tree
2020-03-22	Cezary Czaplewski	cmake ftn okeanos cray XC40 correction	commit \| commitdiff \| tree
2020-03-22	Cezary Czaplewski	cmake ftn okeanos cray XC40	commit \| commitdiff \| tree
2020-03-22	Cezary Czaplewski	ctest newcorr dfa dell15	commit \| commitdiff \| tree
2020-03-22	Cezary Czaplewski	ctest dfa newcorr dell15	commit \| commitdiff \| tree
2020-03-22	Cezary Czaplewski	ctest dfa newcorr	commit \| commitdiff \| tree
2020-03-22	Cezary Czaplewski	ctest dfa wham check	commit \| commitdiff \| tree
2020-03-22	Cezary Czaplewski	ctest dfa	commit \| commitdiff \| tree
2020-03-22	Cezary Czaplewski	ctest newcorr & dfa	commit \| commitdiff \| tree
2020-03-22	Cezary Czaplewski	ctest dfa wham	commit \| commitdiff \| tree
2020-03-22	Cezary Czaplewski	ctest dfa files cx	commit \| commitdiff \| tree
2020-03-22	Cezary Czaplewski	ctest dfa	commit \| commitdiff \| tree
2020-03-21	Cezary Czaplewski	ctest and default UNRES_MD_FF	commit \| commitdiff \| tree
2020-03-21	Cezary Czaplewski	ctest NEWCORR ref values	commit \| commitdiff \| tree
2020-03-20	Cezary Czaplewski	ctest NEWCORR	commit \| commitdiff \| tree
2020-03-20	Cezary Czaplewski	ctest dock cluster pdbref	commit \| commitdiff \| tree
2020-03-20	Cezary Czaplewski	ctest cluster uniq output (avoid in dash "Over 10000...	commit \| commitdiff \| tree
2020-03-20	Cezary Czaplewski	ctest dock wham ref value	commit \| commitdiff \| tree
2020-03-20	Cezary Czaplewski	ctest csa - commented	commit \| commitdiff \| tree
2020-03-20	Cezary Czaplewski	ctest dock wham and old source rm	commit \| commitdiff \| tree
2020-03-20	Cezary Czaplewski	ctest wham newcorr	commit \| commitdiff \| tree
2020-03-20	Cezary Czaplewski	ctest dock NEWCORR	commit \| commitdiff \| tree
2020-03-20	Cezary Czaplewski	cluster debug off	commit \| commitdiff \| tree
2020-03-20	Cezary Czaplewski	dock wham diff	commit \| commitdiff \| tree
2020-03-19	Cezary Czaplewski	ctest UNRES_M_CHECKGRAD1_homology ene ref	commit \| commitdiff \| tree
2020-03-19	Cezary Czaplewski	ctest checkgrad delta=1.0e-4 update	commit \| commitdiff \| tree
2020-03-19	Cezary Czaplewski	ctest checkgrad delta=1.0e-4	commit \| commitdiff \| tree
2020-03-19	Cezary Czaplewski	cmake NEWCORR	commit \| commitdiff \| tree
2020-03-19	Cezary Czaplewski	ctest ref ene	commit \| commitdiff \| tree
2020-03-19	Cezary Czaplewski	correct theta_abinitio_old_ext.parm	commit \| commitdiff \| tree
2020-03-19	Cezary Czaplewski	ctest UNRES_M_ss_static_min	commit \| commitdiff \| tree
2020-03-19	Cezary Czaplewski	rm JESTEM printout	commit \| commitdiff \| tree
2020-03-19	Cezary Czaplewski	ctest UNRES_M_MD_microcanonical ene tol 6.0	commit \| commitdiff \| tree
2020-03-19	Cezary Czaplewski	ctest UNRES_M_REGULAR	commit \| commitdiff \| tree
2020-03-19	Cezary Czaplewski	ctest UNRES_M_MD_microcanonical	commit \| commitdiff \| tree
2020-03-19	Cezary Czaplewski	ctest plot UNRES_M_MD_microcanonical	commit \| commitdiff \| tree
2020-03-19	Cezary Czaplewski	ctest ref ene min	commit \| commitdiff \| tree
2020-03-18	Cezary Czaplewski	ctest update ene ref	commit \| commitdiff \| tree
2020-03-18	Cezary Czaplewski	energy_dec print_compon	commit \| commitdiff \| tree
2020-03-17	Cezary Czaplewski	ctest dock cluster	commit \| commitdiff \| tree
2020-03-17	Cezary Czaplewski	sco format read2sigma wham cluster_wham	commit \| commitdiff \| tree
2020-03-17	Cezary Czaplewski	ctest dock read_minim_par	commit \| commitdiff \| tree
2020-03-17	Cezary Czaplewski	ctest dock chmod 2	commit \| commitdiff \| tree
2020-03-17	Cezary Czaplewski	ctest dock chmod	commit \| commitdiff \| tree
2020-03-17	Cezary Czaplewski	ctest python2	commit \| commitdiff \| tree
2020-03-16	Cezary Czaplewski	gfortran geomout.F:(.text+0x48df): relocation truncated...	commit \| commitdiff \| tree
2020-03-15	Cezary Czaplewski	gfortran geomout.F:(.text+0x48df): relocation truncated...	commit \| commitdiff \| tree
2020-03-15	Cezary Czaplewski	isnan logical isnan(potEcomp(0)).gt.0	commit \| commitdiff \| tree
2020-03-15	Cezary Czaplewski	ctest csa grep -v GenSide	commit \| commitdiff \| tree
2020-03-15	Cezary Czaplewski	ctest csa	commit \| commitdiff \| tree
2020-03-15	Cezary Czaplewski	ctest unres	commit \| commitdiff \| tree
2020-03-15	Cezary Czaplewski	ctest wham	commit \| commitdiff \| tree
2020-03-15	Cezary Czaplewski	ctest wham	commit \| commitdiff \| tree
2020-03-14	Cezary Czaplewski	cleaning ln xdrf	commit \| commitdiff \| tree
2020-03-14	Cezary Czaplewski	ctest cluster wham dfa	commit \| commitdiff \| tree
2020-03-14	Cezary Czaplewski	ctest cluster wham	commit \| commitdiff \| tree
2020-03-14	Cezary Czaplewski	ctest xdrf2pdb	commit \| commitdiff \| tree
2020-03-14	Cezary Czaplewski	cluster unres	commit \| commitdiff \| tree
2020-03-14	Cezary Czaplewski	cleaning and csa update	commit \| commitdiff \| tree
2020-03-14	Cezary Czaplewski	rm exe	commit \| commitdiff \| tree
2014-12-05	Cezary Czaplewski	changes from prerelease src_CSA_DiL copied to devel	commit \| commitdiff \| tree
2014-10-08	Cezary Czaplewski	correct default option for compilers in cluster CmakeList.txt	commit \| commitdiff \| tree
2014-10-08	Cezary Czaplewski	correct default option for compilers in wham CmakeList.txt	commit \| commitdiff \| tree
2014-06-24	Cezary Czaplewski	Makefile without debuging	commit \| commitdiff \| tree
2014-06-18	Cezary Czaplewski	Merge branch 'devel' of mmka:unres into devel	commit \| commitdiff \| tree
2014-06-18	Cezary Czaplewski	dyn-ss in MD-M	commit \| commitdiff \| tree
2014-06-17	Cezary Czaplewski	correcter Makefile and errors side chain parameters	commit \| commitdiff \| tree
2014-06-17	Cezary Czaplewski	Merge branch 'devel' of mmka:unres into devel	commit \| commitdiff \| tree
2014-06-17	Cezary Czaplewski	xdrf2x tests	commit \| commitdiff \| tree
2013-10-30	Cezary Czaplewski	Makefile for pgi 2013	commit \| commitdiff \| tree
2013-10-30	Cezary Czaplewski	Merge branch 'devel' of mmka:unres into devel	commit \| commitdiff \| tree
2013-10-30	Cezary Czaplewski	testing Makefile for pgi compiler	commit \| commitdiff \| tree
2013-09-02	Cezary Czaplewski	repair of broken merge	commit \| commitdiff \| tree
2013-09-02	Cezary Czaplewski	Merge branch 'devel' of mmka:unres into devel	commit \| commitdiff \| tree
2013-09-02	Cezary Czaplewski	merging devel	commit \| commitdiff \| tree
2013-09-02	Cezary Czaplewski	Merge branch 'prerelease-3.2.1' of mmka:unres into...	commit \| commitdiff \| tree
2013-09-02	Cezary Czaplewski	dynamic disulfides in multichain	commit \| commitdiff \| tree
2013-08-07	Cezary Czaplewski	decrease of Max_Parm to 32 necessary for 4GB machine	commit \| commitdiff \| tree
2013-08-05	Cezary Czaplewski	Merge branch 'prerelease-3.2.1' of mmka:unres into...	commit \| commitdiff \| tree
2013-08-05	Cezary Czaplewski	only new xdrf2pdb binary	commit \| commitdiff \| tree
2013-05-07	Cezary Czaplewski	some corrections in xdrf2pdb-m for dyn_ss	commit \| commitdiff \| tree
2013-05-07	Cezary Czaplewski	some corrections in xdrf2pdb-m for dyn_ss	commit \| commitdiff \| tree
2013-04-30	Cezary Czaplewski	Merge branch 'prerelease-3.2.1' of mmka:unres into...	commit \| commitdiff \| tree
2013-04-30	Cezary Czaplewski	Merge branch 'prerelease-3.2.1' of mmka:unres into...	commit \| commitdiff \| tree
2013-04-30	Cezary Czaplewski	testing ssbond in cx	commit \| commitdiff \| tree
2013-04-30	Cezary Czaplewski	testing ssbond in cx	commit \| commitdiff \| tree
2013-04-08	Cezary Czaplewski	correct writing of dyn_ss for cx and x	commit \| commitdiff \| tree
2013-04-08	Cezary Czaplewski	correct writing of dyn_ss for cx and x	commit \| commitdiff \| tree
2013-02-19	Cezary Czaplewski	cleaning of gfortran warnings in src_MD_DFA	commit \| commitdiff \| tree
2013-02-19	Cezary Czaplewski	cleaning of gfortran warnings in src_MD_DFA	commit \| commitdiff \| tree
2013-02-19	Cezary Czaplewski	cleaning of gfortran warnings	commit \| commitdiff \| tree
2013-02-19	Cezary Czaplewski	cleaning of gfortran warnings	commit \| commitdiff \| tree
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