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

2020-03-28	Cezary Czaplewski	Adam's corrections	commit \| commitdiff \| tree \| snapshot
2020-03-27	Cezary Czaplewski	Adam's 5D respa	commit \| commitdiff \| tree \| snapshot
2020-03-27	Cezary Czaplewski	ctest dock srun correction	commit \| commitdiff \| tree \| snapshot
2020-03-27	Cezary Czaplewski	ctest dock srun	commit \| commitdiff \| tree \| snapshot
2020-03-26	Cezary Czaplewski	ctest dock 5D	commit \| commitdiff \| tree \| snapshot
2020-03-26	Cezary Czaplewski	update HCD-5D	commit \| commitdiff \| tree \| snapshot
2020-03-24	Cezary Czaplewski	5D update	commit \| commitdiff \| tree \| snapshot
2020-03-24	Cezary Czaplewski	src-HCD-5D update	commit \| commitdiff \| tree \| snapshot
2020-03-24	Cezary Czaplewski	make cp src-HCD-5D	commit \| commitdiff \| tree \| snapshot
2020-03-24	Cezary Czaplewski	copy src_MD-M-SAXS-homology src-HCD-5D	commit \| commitdiff \| tree \| snapshot
2020-03-22	Cezary Czaplewski	ctest dock wham ref max Cv	commit \| commitdiff \| tree \| snapshot
2020-03-22	Cezary Czaplewski	ctest rm n_ene	commit \| commitdiff \| tree \| snapshot
2020-03-22	Cezary Czaplewski	cmake ftn okeanos cray XC40 correction	commit \| commitdiff \| tree \| snapshot
2020-03-22	Cezary Czaplewski	cmake ftn okeanos cray XC40	commit \| commitdiff \| tree \| snapshot
2020-03-22	Cezary Czaplewski	ctest newcorr dfa dell15	commit \| commitdiff \| tree \| snapshot
2020-03-22	Cezary Czaplewski	ctest dfa newcorr dell15	commit \| commitdiff \| tree \| snapshot
2020-03-22	Cezary Czaplewski	ctest dfa newcorr	commit \| commitdiff \| tree \| snapshot
2020-03-22	Cezary Czaplewski	ctest dfa wham check	commit \| commitdiff \| tree \| snapshot
2020-03-22	Cezary Czaplewski	ctest dfa	commit \| commitdiff \| tree \| snapshot
2020-03-22	Cezary Czaplewski	ctest newcorr & dfa	commit \| commitdiff \| tree \| snapshot
2020-03-22	Cezary Czaplewski	ctest dfa wham	commit \| commitdiff \| tree \| snapshot
2020-03-22	Cezary Czaplewski	ctest dfa files cx	commit \| commitdiff \| tree \| snapshot
2020-03-22	Cezary Czaplewski	ctest dfa	commit \| commitdiff \| tree \| snapshot
2020-03-21	Cezary Czaplewski	ctest and default UNRES_MD_FF	commit \| commitdiff \| tree \| snapshot
2020-03-21	Cezary Czaplewski	ctest NEWCORR ref values	commit \| commitdiff \| tree \| snapshot
2020-03-20	Cezary Czaplewski	ctest NEWCORR	commit \| commitdiff \| tree \| snapshot
2020-03-20	Cezary Czaplewski	ctest dock cluster pdbref	commit \| commitdiff \| tree \| snapshot
2020-03-20	Cezary Czaplewski	ctest cluster uniq output (avoid in dash "Over 10000...	commit \| commitdiff \| tree \| snapshot
2020-03-20	Cezary Czaplewski	ctest dock wham ref value	commit \| commitdiff \| tree \| snapshot
2020-03-20	Cezary Czaplewski	ctest csa - commented	commit \| commitdiff \| tree \| snapshot
2020-03-20	Cezary Czaplewski	ctest dock wham and old source rm	commit \| commitdiff \| tree \| snapshot
2020-03-20	Cezary Czaplewski	ctest wham newcorr	commit \| commitdiff \| tree \| snapshot
2020-03-20	Cezary Czaplewski	ctest dock NEWCORR	commit \| commitdiff \| tree \| snapshot
2020-03-20	Cezary Czaplewski	cluster debug off	commit \| commitdiff \| tree \| snapshot
2020-03-20	Cezary Czaplewski	dock wham diff	commit \| commitdiff \| tree \| snapshot
2020-03-19	Cezary Czaplewski	ctest UNRES_M_CHECKGRAD1_homology ene ref	commit \| commitdiff \| tree \| snapshot
2020-03-19	Cezary Czaplewski	ctest checkgrad delta=1.0e-4 update	commit \| commitdiff \| tree \| snapshot
2020-03-19	Cezary Czaplewski	ctest checkgrad delta=1.0e-4	commit \| commitdiff \| tree \| snapshot
2020-03-19	Cezary Czaplewski	cmake NEWCORR	commit \| commitdiff \| tree \| snapshot
2020-03-19	Cezary Czaplewski	ctest ref ene	commit \| commitdiff \| tree \| snapshot
2020-03-19	Cezary Czaplewski	correct theta_abinitio_old_ext.parm	commit \| commitdiff \| tree \| snapshot
2020-03-19	Cezary Czaplewski	ctest UNRES_M_ss_static_min	commit \| commitdiff \| tree \| snapshot
2020-03-19	Cezary Czaplewski	rm JESTEM printout	commit \| commitdiff \| tree \| snapshot
2020-03-19	Cezary Czaplewski	ctest UNRES_M_MD_microcanonical ene tol 6.0	commit \| commitdiff \| tree \| snapshot
2020-03-19	Cezary Czaplewski	ctest UNRES_M_REGULAR	commit \| commitdiff \| tree \| snapshot
2020-03-19	Cezary Czaplewski	ctest UNRES_M_MD_microcanonical	commit \| commitdiff \| tree \| snapshot
2020-03-19	Cezary Czaplewski	ctest plot UNRES_M_MD_microcanonical	commit \| commitdiff \| tree \| snapshot
2020-03-19	Cezary Czaplewski	ctest ref ene min	commit \| commitdiff \| tree \| snapshot
2020-03-18	Cezary Czaplewski	ctest update ene ref	commit \| commitdiff \| tree \| snapshot
2020-03-18	Cezary Czaplewski	energy_dec print_compon	commit \| commitdiff \| tree \| snapshot
2020-03-17	Cezary Czaplewski	ctest dock cluster	commit \| commitdiff \| tree \| snapshot
2020-03-17	Cezary Czaplewski	sco format read2sigma wham cluster_wham	commit \| commitdiff \| tree \| snapshot
2020-03-17	Cezary Czaplewski	ctest dock read_minim_par	commit \| commitdiff \| tree \| snapshot
2020-03-17	Cezary Czaplewski	ctest dock chmod 2	commit \| commitdiff \| tree \| snapshot
2020-03-17	Cezary Czaplewski	ctest dock chmod	commit \| commitdiff \| tree \| snapshot
2020-03-17	Cezary Czaplewski	ctest python2	commit \| commitdiff \| tree \| snapshot
2020-03-16	Cezary Czaplewski	gfortran geomout.F:(.text+0x48df): relocation truncated...	commit \| commitdiff \| tree \| snapshot
2020-03-15	Cezary Czaplewski	gfortran geomout.F:(.text+0x48df): relocation truncated...	commit \| commitdiff \| tree \| snapshot
2020-03-15	Cezary Czaplewski	isnan logical isnan(potEcomp(0)).gt.0	commit \| commitdiff \| tree \| snapshot
2020-03-15	Cezary Czaplewski	ctest csa grep -v GenSide	commit \| commitdiff \| tree \| snapshot
2020-03-15	Cezary Czaplewski	ctest csa	commit \| commitdiff \| tree \| snapshot
2020-03-15	Cezary Czaplewski	ctest unres	commit \| commitdiff \| tree \| snapshot
2020-03-15	Cezary Czaplewski	ctest wham	commit \| commitdiff \| tree \| snapshot
2020-03-15	Cezary Czaplewski	ctest wham	commit \| commitdiff \| tree \| snapshot
2020-03-14	Cezary Czaplewski	cleaning ln xdrf	commit \| commitdiff \| tree \| snapshot
2020-03-14	Cezary Czaplewski	ctest cluster wham dfa	commit \| commitdiff \| tree \| snapshot
2020-03-14	Cezary Czaplewski	ctest cluster wham	commit \| commitdiff \| tree \| snapshot
2020-03-14	Cezary Czaplewski	ctest xdrf2pdb	commit \| commitdiff \| tree \| snapshot
2020-03-14	Cezary Czaplewski	cluster unres	commit \| commitdiff \| tree \| snapshot
2020-03-14	Cezary Czaplewski	cleaning and csa update	commit \| commitdiff \| tree \| snapshot
2020-03-14	Cezary Czaplewski	rm exe	commit \| commitdiff \| tree \| snapshot
2016-03-10	Pawel Krupa	Calculation of folded fractions (at given RMSD cutoff...	commit \| commitdiff \| tree \| snapshot
2015-10-26	Pawel Krupa	Optimization of the solution for the disulfide problem.	commit \| commitdiff \| tree \| snapshot
2015-10-21	Adam Sieradzan	trial for X-Cys-Cys-X sequences	commit \| commitdiff \| tree \| snapshot
2015-10-21	Adam Sieradzan	wham debug off and bug fix for dtriss =0	commit \| commitdiff \| tree \| snapshot
2015-10-21	Adam Sieradzan	wham debug on	commit \| commitdiff \| tree \| snapshot
2015-09-22	Adam Sieradzan	debug in respa	commit \| commitdiff \| tree \| snapshot
2015-09-03	Adam Sieradzan	bug fix in WHAM for disulfides	commit \| commitdiff \| tree \| snapshot
2015-08-03	Adam Sieradzan	adding of sccor am1 parameter file	commit \| commitdiff \| tree \| snapshot
2015-08-03	Adam Sieradzan	1) debug of Lorentzian like constrains in cluster 2...	commit \| commitdiff \| tree \| snapshot
2015-08-02	Adam Sieradzan	first introduction of valence constrains - not working yet	commit \| commitdiff \| tree \| snapshot
2015-07-31	Adam Sieradzan	introduction of different ftors for each site	commit \| commitdiff \| tree \| snapshot
2015-07-28	Adam Sieradzan	Intoduction Lorentizan like restrains to cluster	commit \| commitdiff \| tree \| snapshot
2015-07-21	Adam Sieradzan	WHAM for Lorentzian like constrains fixed - DEBUG OFF	commit \| commitdiff \| tree \| snapshot
2015-07-20	Adam Sieradzan	debuging WHAM for constrains DEBUG ON	commit \| commitdiff \| tree \| snapshot
2015-07-10	Adam Sieradzan	introduction of quartic an Lonrentz constrains to WHAM	commit \| commitdiff \| tree \| snapshot
2015-07-06	Adam Sieradzan	intoduction of quartic restrains in multichain, bugfix...	commit \| commitdiff \| tree \| snapshot
2015-07-03	Adam Sieradzan	WeFold Lorentzian like potentials introduction	commit \| commitdiff \| tree \| snapshot
2015-06-24	Dawid Jagiela	Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...	commit \| commitdiff \| tree \| snapshot
2015-06-24	Dawid Jagiela	removed uninitialized ghalf from equation	commit \| commitdiff \| tree \| snapshot
2015-05-27	Adam Sieradzan	working cluster for dyn_ss and triss	commit \| commitdiff \| tree \| snapshot
2015-05-26	Adam Sieradzan	Debug cluster part 2	commit \| commitdiff \| tree \| snapshot
2015-05-26	Adam Sieradzan	Cluster debug ON	commit \| commitdiff \| tree \| snapshot
2015-05-26	Adam Sieradzan	havebond turnoff	commit \| commitdiff \| tree \| snapshot
2015-05-26	Adam Sieradzan	correction of readrtns	commit \| commitdiff \| tree \| snapshot
2015-05-26	Adam Sieradzan	Merge branch 'devel' of mmka:unres into devel	commit \| commitdiff \| tree \| snapshot
2015-05-26	Adam Sieradzan	energy_dec to logical	commit \| commitdiff \| tree \| snapshot
2015-05-26	Dawid Jagiela	removed obsolite code in ssMD.F files	commit \| commitdiff \| tree \| snapshot
2015-05-26	Adam Sieradzan	Introduction of dyn_ss and triss to cluster	commit \| commitdiff \| tree \| snapshot
2015-05-25	Adam Sieradzan	hidden part of debug	commit \| commitdiff \| tree \| snapshot
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