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

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
2015-05-25	Adam Sieradzan	nss*ebr removed	commit \| commitdiff \| tree \| snapshot
2015-05-25	Adam Sieradzan	cxread debug 7	commit \| commitdiff \| tree \| snapshot
2015-05-25	Adam Sieradzan	debug part 6	commit \| commitdiff \| tree \| snapshot
2015-05-25	Adam Sieradzan	Debug 5	commit \| commitdiff \| tree \| snapshot
2015-05-25	Adam Sieradzan	another DEBUG	commit \| commitdiff \| tree \| snapshot
2015-05-25	Adam Sieradzan	dubug dss part 3	commit \| commitdiff \| tree \| snapshot
2015-05-25	Adam Sieradzan	diffrent name for evdw	commit \| commitdiff \| tree \| snapshot
2015-05-25	Adam Sieradzan	TRISS debug	commit \| commitdiff \| tree \| snapshot
2015-05-25	Adam Sieradzan	Warnig Debug ON	commit \| commitdiff \| tree \| snapshot
2015-05-24	Adam Sieradzan	Corrected WHAM and UNRES reading in SS dyn...	commit \| commitdiff \| tree \| snapshot
2015-05-23	Adam Sieradzan	Introduction of working dyn_ss and triss. Problems...	commit \| commitdiff \| tree \| snapshot
2015-05-23	Adam Sieradzan	Correction in readrtns	commit \| commitdiff \| tree \| snapshot
2015-05-23	Adam Sieradzan	Change in line of dyn_ss	commit \| commitdiff \| tree \| snapshot
2015-05-22	Adam Sieradzan	Merge branch 'devel' of mmka:unres into devel	commit \| commitdiff \| tree \| snapshot
2015-05-22	Adam Sieradzan	Adding dyn_ss and triss potentials to src-M wham	commit \| commitdiff \| tree \| snapshot
2015-05-22	Pawel Krupa	Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...	commit \| commitdiff \| tree \| snapshot
2015-05-22	Pawel Krupa	Fixed bug in reading trisulfide potentials (atriss...	commit \| commitdiff \| tree \| snapshot
2015-05-06	Dawid Jagiela	fixed install binary paths	commit \| commitdiff \| tree \| snapshot
2015-04-21	Pawel Krupa	MPICH2 and energy fixes in WHAM-M and Cluster-M.	commit \| commitdiff \| tree \| snapshot
2015-04-17	Adam Sieradzan	Merge branch 'devel' of mmka:unres into devel	commit \| commitdiff \| tree \| snapshot
2015-04-17	Pawel Krupa	Fixed error caused by new MPICH2, which made WHAM-M...	commit \| commitdiff \| tree \| snapshot
2015-04-17	Adam Sieradzan	poprawka w COMMON.SBRIDE dla triss	commit \| commitdiff \| tree \| snapshot
2015-04-16	Pawel Krupa	Fixed energy differs in WHAM-M (EBE).	commit \| commitdiff \| tree \| snapshot
2015-04-13	Adam Sieradzan	poprawka w intcartderiv	commit \| commitdiff \| tree \| snapshot
2015-04-13	Adam Sieradzan	Introduction of SS to newcorr and SSS to src_MD-M	commit \| commitdiff \| tree \| snapshot
2015-04-05	Dawid Jagiela	Merge branch 'devel' of mmka:unres into devel	commit \| commitdiff \| tree \| snapshot
2015-04-05	Dawid Jagiela	added Force-Fields descriptions in exe filenames	commit \| commitdiff \| tree \| snapshot
2015-03-26	Pawel Krupa	MD problems fixed with FGPROC>1	commit \| commitdiff \| tree \| snapshot
2015-02-19	Adam Sieradzan	poprawki w ANG w src_MD-M	commit \| commitdiff \| tree \| snapshot
2015-01-29	Adam Liwo	Corrected refsys.f in src_MD-M	commit \| commitdiff \| tree \| snapshot
2014-12-05	Cezary Czaplewski	changes from prerelease src_CSA_DiL copied to devel	commit \| commitdiff \| tree \| snapshot
2014-11-06	Dawid Jagiela	fixed src_MD_DFA ala10 ctest	commit \| commitdiff \| tree \| snapshot
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