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

2016-03-10	Cezary Czaplewski	Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...	commit \| commitdiff \| tree \| snapshot
2016-03-10	Cezary Czaplewski	wham cmake ifort options for larger data	commit \| commitdiff \| tree \| snapshot
2016-03-10	Cezary Czaplewski	DIMENSIONS corrected maxterm_sccor=20	commit \| commitdiff \| tree \| snapshot
2016-03-09	Cezary Czaplewski	ctest update for src_MD-M test to match src_MD	commit \| commitdiff \| tree \| snapshot
2016-03-09	Cezary Czaplewski	ctest corrections to mpi script and remd test	commit \| commitdiff \| tree \| snapshot
2016-03-09	Cezary Czaplewski	ctest for remd	commit \| commitdiff \| tree \| snapshot
2016-03-09	Cezary Czaplewski	minimization in internal coordinates works in src_MD-M	commit \| commitdiff \| tree \| snapshot
2016-03-09	Cezary Czaplewski	ctest correction to previous commit	commit \| commitdiff \| tree \| snapshot
2016-03-09	Cezary Czaplewski	ctest for Nose-Hoover removed from srcMD-M	commit \| commitdiff \| tree \| snapshot
2016-03-08	Cezary Czaplewski	corrections to src_MD-M for the same energy as src_MD	commit \| commitdiff \| tree \| snapshot
2016-03-08	Cezary Czaplewski	ctest for src_MD-M copied from src_MD	commit \| commitdiff \| tree \| snapshot
2016-03-08	Cezary Czaplewski	ctest local csa added with 4P force field	commit \| commitdiff \| tree \| snapshot
2016-03-08	Cezary Czaplewski	ctest correction to previous commit	commit \| commitdiff \| tree \| snapshot
2016-03-08	Cezary Czaplewski	ctest for thermostats: Langevin, Nose-Hoover and Berendsen	commit \| commitdiff \| tree \| snapshot
2016-03-04	Cezary Czaplewski	Adam's changes to avoid wrong XG.. or ..GX sequence...	commit \| commitdiff \| tree \| snapshot
2016-03-04	Cezary Czaplewski	ctest tolerance for csa emin inreased to 5.0	commit \| commitdiff \| tree \| snapshot
2016-03-02	Cezary Czaplewski	ctest for CSA global with 4P force field	commit \| commitdiff \| tree \| snapshot
2016-03-02	Cezary Czaplewski	ctest works with lam and mpich	commit \| commitdiff \| tree \| snapshot
2016-03-02	Cezary Czaplewski	ctest for internal coordinates and regular minimization	commit \| commitdiff \| tree \| snapshot
2016-02-29	Cezary Czaplewski	ctest for minimization and microcanonical MD	commit \| commitdiff \| tree \| snapshot
2016-02-29	Cezary Czaplewski	correction to previous commit CTEST_FULL_OUTPUT	commit \| commitdiff \| tree \| snapshot
2016-02-29	Cezary Czaplewski	added echo CTEST_FULL_OUTPUT (Avoid ctest truncation...	commit \| commitdiff \| tree \| snapshot
2016-02-29	Cezary Czaplewski	ctest for E0LL2Y with MPI now using FGPROCS=2	commit \| commitdiff \| tree \| snapshot
2016-02-29	Cezary Czaplewski	ctest for E0LL2Y with reference energy diff	commit \| commitdiff \| tree \| snapshot
2016-02-11	Adam Sieradzan	adding correction in cluster debug	commit \| commitdiff \| tree \| snapshot
2015-12-20	Adam Liwo	Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...	commit \| commitdiff \| tree \| snapshot
2015-12-18	Adam Liwo	Fized same buffer issue in gather and gatherv in wham...	commit \| commitdiff \| tree \| snapshot
2015-11-26	Adam Liwo	xdrf added to cluster	commit \| commitdiff \| tree \| snapshot
2015-10-27	Cezary Czaplewski	ENERGY_DEC printout works for ESTR	commit \| commitdiff \| tree \| snapshot
2015-10-26	Cezary Czaplewski	ENERGY_DEC printout works for ebend in E0LL2Y forcefield	commit \| commitdiff \| tree \| snapshot
2015-10-14	Cezary Czaplewski	switch off debugging in src_MD-M	commit \| commitdiff \| tree \| snapshot
2015-10-08	Cezary Czaplewski	energy_dec works with etors_d	commit \| commitdiff \| tree \| snapshot
2015-09-30	Adam Liwo	Changes AL	commit \| commitdiff \| tree \| snapshot
2015-07-07	Cezary Czaplewski	restraints from contact prediction for CSA version	commit \| commitdiff \| tree \| snapshot
2015-06-05	Adam Liwo	by Adam	commit \| commitdiff \| tree \| snapshot
2015-05-10	Adam Liwo	Import fixed makefiles in cluster	commit \| commitdiff \| tree \| snapshot
2015-05-10	Adam Liwo	Fixed geomout.F	commit \| commitdiff \| tree \| snapshot
2015-05-10	Adam Liwo	Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...	commit \| commitdiff \| tree \| snapshot
2015-05-07	Cezary Czaplewski	adding in cmake UNRES_MD_FF = 4P for wham and cluster	commit \| commitdiff \| tree \| snapshot
2015-05-07	Cezary Czaplewski	adding in cmake UNRES_MD_FF = 4P for src_MD and src_MD-M	commit \| commitdiff \| tree \| snapshot
2015-05-07	Cezary Czaplewski	fixed binary names for cmake (update)	commit \| commitdiff \| tree \| snapshot
2015-05-07	Cezary Czaplewski	fixed binary names for cmake and make	commit \| commitdiff \| tree \| snapshot
2015-05-07	Cezary Czaplewski	Merge branch 'prerelease-3.2.1'	commit \| commitdiff \| tree \| snapshot
2015-05-07	Cezary Czaplewski	Merge branch 'master' of mmka.chem.univ.gda.pl:unres	commit \| commitdiff \| tree \| snapshot
2015-05-06	Dawid Jagiela	fixed install binary paths	commit \| commitdiff \| tree \| snapshot
2015-05-06	Adam Liwo	Fixed Makefiles in clust/src_MD-M	commit \| commitdiff \| tree \| snapshot
2015-05-06	Adam Sieradzan	correction in readpdb (bugfix)	commit \| commitdiff \| tree \| snapshot
2015-05-06	Adam Sieradzan	correction in readpdb (bugfix)	commit \| commitdiff \| tree \| snapshot
2015-04-08	Adam Liwo	By Adam	commit \| commitdiff \| tree \| snapshot
2015-03-25	Cezary Czaplewski	changes to avoid PMPI_Scatterv: Invalid buffer pointer...	commit \| commitdiff \| tree \| snapshot
2015-03-13	Cezary Czaplewski	changes to avoid PMPI_Scatterv: Invalid buffer pointer...	commit \| commitdiff \| tree \| snapshot
2015-02-25	Adam Sieradzan	Finding undefined tua...	commit \| commitdiff \| tree \| snapshot
2015-02-24	Adam Sieradzan	zmiany przywracajace TURN dla dummy i rozszerzajace...	commit \| commitdiff \| tree \| snapshot
2015-02-23	Adam Sieradzan	poprawka turn3 i turn4 uwaga moga byc wlaczone diagnostki	commit \| commitdiff \| tree \| snapshot
2015-02-20	Cezary Czaplewski	Merge branch 'prerelease-3.2.1'	commit \| commitdiff \| tree \| snapshot
2015-02-19	Adam Sieradzan	EBE change in prerealese-3.2.1 make dummy atom idependent	commit \| commitdiff \| tree \| snapshot
2015-02-16	Adam Sieradzan	poprawka w src_MD	commit \| commitdiff \| tree \| snapshot
2015-02-16	Adam Sieradzan	Poprawiony src_MD-M gradient	commit \| commitdiff \| tree \| snapshot
2015-02-11	Adam Sieradzan	Merge branch 'prerelease-3.2.1' of mmka:unres into...	commit \| commitdiff \| tree \| snapshot
2015-02-11	Adam Sieradzan	rozgrzebana minimalizacja	commit \| commitdiff \| tree \| snapshot
2015-02-11	Adam Sieradzan	intro of SCCOR into src_MIN	commit \| commitdiff \| tree \| snapshot
2015-01-24	Adam Liwo	Corrected refsys.f in src_MD-M	commit \| commitdiff \| tree \| snapshot
2015-01-24	Dawid Jagieła	removed maxlik paths from cmake sources	commit \| commitdiff \| tree \| snapshot
2015-01-23	Adam Liwo	refsys	commit \| commitdiff \| tree \| snapshot
2015-01-23	Adam Liwo	Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...	commit \| commitdiff \| tree \| snapshot
2015-01-23	Adam Liwo	Corrected refsys.f in src_MD-M	commit \| commitdiff \| tree \| snapshot
2015-01-22	Adam Sieradzan	Merge branch 'prerelease-3.2.1' of mmka:unres into...	commit \| commitdiff \| tree \| snapshot
2015-01-19	Adam Sieradzan	dzialajacy wham+poprawka w funckji energi+ poprawka...	commit \| commitdiff \| tree \| snapshot
2015-01-08	Cezary Czaplewski	Makefiles for mpich2 and some corrections to Makefiles	commit \| commitdiff \| tree \| snapshot
2015-01-05	Adam Liwo	Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...	commit \| commitdiff \| tree \| snapshot
2015-01-05	Adam Liwo	Added cinfo	commit \| commitdiff \| tree \| snapshot
2015-01-05	Adam Liwo	MREMD corrected; Langevin mode (bcast instead of scatte...	commit \| commitdiff \| tree \| snapshot
2015-01-04	Adam Sieradzan	poprawka gradientu w CSA	commit \| commitdiff \| tree \| snapshot
2015-01-04	Adam Sieradzan	Naprawienie wham'a oraz wprowadzenie SCcorr do CSA	commit \| commitdiff \| tree \| snapshot
2014-12-30	Adam Sieradzan	wprowadzenie do multichaina SCcorr	commit \| commitdiff \| tree \| snapshot
2014-12-19	Adam Sieradzan	debug w poszukiwaniu bledu w ostatniej reszcie	commit \| commitdiff \| tree \| snapshot
2014-12-18	Adam Kazimierz...	dodanie czytania wagi wsccor do clustrowania-M	commit \| commitdiff \| tree \| snapshot
2014-12-18	Adam Kazimierz...	Wstawnieni SCCOR dla clustrowania. Nie wiadomo czy...	commit \| commitdiff \| tree \| snapshot
2014-12-18	Adam Kazimierz...	Wprowadzenie SCCOR dla wham-M	commit \| commitdiff \| tree \| snapshot
2014-12-18	Adam Kazimierz...	Rozgrzebany SCCOR dla wham-M	commit \| commitdiff \| tree \| snapshot
2014-12-17	Adam Kazimierz...	Poprawiony SCR_MD-M i dzialajacy	commit \| commitdiff \| tree \| snapshot
2014-12-17	Adam Kazimierz...	Wprowadznie potencjalow SC-COR do multichain oraz ich...	commit \| commitdiff \| tree \| snapshot
2014-12-17	Adam Sieradzan	Merge branch 'prerelease-3.2.1' of mmka:unres into...	commit \| commitdiff \| tree \| snapshot
2014-12-12	Dawid Jagiela	removed source/maxlik/src_CSA dir from CMake	commit \| commitdiff \| tree \| snapshot
2014-12-12	Adam Liwo	Again, documentation updated	commit \| commitdiff \| tree \| snapshot
2014-12-12	Adam Liwo	Documentation updated	commit \| commitdiff \| tree \| snapshot
2014-12-11	Adam Liwo	Minor change in documentation (installman) v.3.2.1	commit \| commitdiff \| tree \| snapshot
2014-12-11	Adam Liwo	Updated changelog, added minimization-only version...	commit \| commitdiff \| tree \| snapshot
2014-12-11	Adam Liwo	Created binaries and fixed bugs when compiling single...	commit \| commitdiff \| tree \| snapshot
2014-12-07	Dawid Jagieła	removed CSA_DiL sources from CMake	commit \| commitdiff \| tree \| snapshot
2014-12-05	Cezary Czaplewski	correction to 4P energy and csa examples	commit \| commitdiff \| tree \| snapshot
2014-12-05	Cezary Czaplewski	corrected example CSA run with 4P	commit \| commitdiff \| tree \| snapshot
2014-12-05	Cezary Czaplewski	new options for mpich2 with gfortran Makefile	commit \| commitdiff \| tree \| snapshot
2014-12-05	Cezary Czaplewski	src_CSA_DiL removed from prerelease, current version...	commit \| commitdiff \| tree \| snapshot
2014-12-04	Adam Liwo	Added the change docs by Adam	commit \| commitdiff \| tree \| snapshot
2014-12-04	Adam Liwo	Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...	commit \| commitdiff \| tree \| snapshot
2014-12-04	Adam Liwo	Yet more changes in the documentation ( by Adam)	commit \| commitdiff \| tree \| snapshot
2014-12-04	Adam Liwo	Revised documentation by Adam	commit \| commitdiff \| tree \| snapshot
2014-11-28	Dawid Jagiela	changed FF preprocesor flags in src_CSA_DiL/CMakeLists.txt	commit \| commitdiff \| tree \| snapshot
2014-11-28	Dawid Jagiela	Merge branch 'prerelease-3.2.1' of mmka:unres into...	commit \| commitdiff \| tree \| snapshot
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