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

2015-05-14	Adam Liwo	Fixed the following components:	commit \| commitdiff \| tree \| snapshot
2015-05-13	Adam Liwo	Fixed a MAJOR error in WHAM; energies were computed...	commit \| commitdiff \| tree \| snapshot
2015-05-07	Cezary Czaplewski	cmake compilation for cluster and wham repaired	commit \| commitdiff \| tree \| snapshot
2015-05-06	Cezary Czaplewski	minimization in int works with FGPROCS>1	commit \| commitdiff \| tree \| snapshot
2015-04-16	Felipe Pineda	Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...	commit \| commitdiff \| tree \| snapshot
2015-04-16	Felipe Pineda	WHAM and CLUSTER with HM restraints by AL and FP	commit \| commitdiff \| tree \| snapshot
2015-03-17	Cezary Czaplewski	remd with homol_nset>1 working with FG parallelization	commit \| commitdiff \| tree \| snapshot
2015-03-13	Cezary Czaplewski	changes to avoid PMPI_Scatterv: Invalid buffer pointer...	commit \| commitdiff \| tree \| snapshot
2015-03-06	Felipe Pineda	Lorentzian-type distance restraint energy implemented	commit \| commitdiff \| tree \| snapshot
2015-03-04	Felipe Pineda	common.control cleaning	commit \| commitdiff \| tree \| snapshot
2015-03-04	Felipe Pineda	Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...	commit \| commitdiff \| tree \| snapshot
2015-03-04	Felipe Pineda	After final fix by AL	commit \| commitdiff \| tree \| snapshot
2015-03-03	Cezary Czaplewski	REMD with HOMOL_NSET>1 and single weight for all homolo...	commit \| commitdiff \| tree \| snapshot
2015-02-25	Felipe Pineda	Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...	commit \| commitdiff \| tree \| snapshot
2015-02-25	Felipe Pineda	Merge branch 'master' of mmka.chem.univ.gda.pl:unres...	commit \| commitdiff \| tree \| snapshot
2015-02-25	Cezary Czaplewski	respa now working without dfa weights	commit \| commitdiff \| tree \| snapshot
2015-02-20	Felipe Pineda	Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...	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
2015-02-12	Felipe Pineda	1st running version of UNRES HM by FP and AL	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	dfa.F was missing form cmake configurations files	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	Cezary Czaplewski	testing 2D replica exchange with FPROCS>1	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
2014-11-28	Adam Liwo	Updated INSTALL	commit \| commitdiff \| tree \| snapshot
2014-11-28	Adam Liwo	Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...	commit \| commitdiff \| tree \| snapshot
2014-11-28	Dawid Jagiela	fixed FF preprocesor flags for src_CSA/CMakeLists.txt	commit \| commitdiff \| tree \| snapshot
2014-11-28	Adam Liwo	Updated INSTALL	commit \| commitdiff \| tree \| snapshot
2014-11-28	Dawid Jagiela	changed csa.f to csa.F in src_CSA/CMakeLists.txt sources	commit \| commitdiff \| tree \| snapshot
2014-11-28	Adam Liwo	Trying to bring files - continued	commit \| commitdiff \| tree \| snapshot
2014-11-28	Adam Liwo	Trying to bring the csa.F file to the repository.	commit \| commitdiff \| tree \| snapshot
2014-11-27	Adam Liwo	Additional fix of xdrfpdb binaries (creation of bin...	commit \| commitdiff \| tree \| snapshot
2014-11-27	Adam Liwo	Fixed Makefiles, handle all force fields thru appropria...	commit \| commitdiff \| tree \| snapshot
2014-11-09	Cezary Czaplewski	restart is now working with HOMOL_NSET	commit \| commitdiff \| tree \| snapshot
2014-11-07	Cezary Czaplewski	untrack *.exe in git	commit \| commitdiff \| tree \| snapshot
2014-11-07	Cezary Czaplewski	some corrections to 2D replica exchange with homology	commit \| commitdiff \| tree \| snapshot
2014-11-07	Cezary Czaplewski	2D replica exchange with homology constraints	commit \| commitdiff \| tree \| snapshot
2014-11-05	Dawid Jagiela	Merge branch 'prerelease-3.2.1' of mmka:unres into...	commit \| commitdiff \| tree \| snapshot
2014-11-05	Dawid Jagiela	ctest ala10 binary location fix	commit \| commitdiff \| tree \| snapshot
2014-11-05	Dawid Jagieła	Added CMake build instructions	commit \| commitdiff \| tree \| snapshot
2014-10-31	Dawid Jagiela	fix for multiple MPI include paths passed by MPI wrapper	commit \| commitdiff \| tree \| snapshot
2014-10-27	Dawid Jagiela	1) binaries are compiled into /bin subdirectory of...	commit \| commitdiff \| tree \| snapshot
2014-10-26	Dawid Jagiela	1) Threading cleanup in src_CSA & src_CSA_DiL	commit \| commitdiff \| tree \| snapshot
2014-10-26	Dawid Jagiela	switched to CMake FindMPI module in all source files...	commit \| commitdiff \| tree \| snapshot
2014-10-26	Dawid Jagiela	added missing preprocessor flags for prng_32.F	commit \| commitdiff \| tree \| snapshot
2014-10-25	Dawid Jagiela	prng.f unification	commit \| commitdiff \| tree \| snapshot
2014-10-17	Felipe Pineda	Adam's homology version of unres with new readpdb.F...	commit \| commitdiff \| tree \| snapshot
2014-10-16	Dawid Jagiela	64-bit fix for unres/CSA and unres/CSA_DiL code	commit \| commitdiff \| tree \| snapshot
2014-10-14	Dawid Jagieła	Merge branch 'prerelease-3.2.1' of mmka:unres into...	commit \| commitdiff \| tree \| snapshot
2014-10-14	Dawid Jagieła	fixed CMake variable typo	commit \| commitdiff \| tree \| snapshot
2014-10-08	Cezary Czaplewski	correct default option for compilers in cluster CmakeLi...	commit \| commitdiff \| tree \| snapshot
2014-10-08	Cezary Czaplewski	correct default option for compilers in wham CmakeList.txt	commit \| commitdiff \| tree \| snapshot
2014-09-11	Adam Sieradzan	dodanie parametrow	commit \| commitdiff \| tree \| snapshot
2014-04-25	Dawid Jagiela	1) added warnings suppression if find_package(MPI)...	commit \| commitdiff \| tree \| snapshot
2013-11-20	Pawel Krupa	Poprawione przyklady w polu ff_gab (zmieniony potencjal... v.3.2	commit \| commitdiff \| tree \| snapshot
2013-11-20	Pawel Krupa	Poprawione przyklady do pola ff_gab (zmieniony potencja...	commit \| commitdiff \| tree \| snapshot
2013-11-05	Adam Sieradzan	Debug part 1	commit \| commitdiff \| tree \| snapshot
2013-10-07	Adam Sieradzan	small correctian in wham	commit \| commitdiff \| tree \| snapshot
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