unres.git
2015-05-14 Adam LiwoFixed the following components:
2015-05-13 Adam LiwoFixed a MAJOR error in WHAM; energies were computed...
2015-05-07 Cezary Czaplewskicmake compilation for cluster and wham repaired
2015-05-06 Cezary Czaplewskiminimization in int works with FGPROCS>1
2015-04-16 Felipe PinedaMerge branch 'homology' of mmka.chem.univ.gda.pl:unres...
2015-04-16 Felipe PinedaWHAM and CLUSTER with HM restraints by AL and FP
2015-03-17 Cezary Czaplewskiremd with homol_nset>1 working with FG parallelization
2015-03-13 Cezary Czaplewskichanges to avoid PMPI_Scatterv: Invalid buffer pointer...
2015-03-06 Felipe PinedaLorentzian-type distance restraint energy implemented
2015-03-04 Felipe Pinedacommon.control cleaning
2015-03-04 Felipe PinedaMerge branch 'homology' of mmka.chem.univ.gda.pl:unres...
2015-03-04 Felipe PinedaAfter final fix by AL
2015-03-03 Cezary CzaplewskiREMD with HOMOL_NSET>1 and single weight for all homolo...
2015-02-25 Felipe PinedaMerge branch 'homology' of mmka.chem.univ.gda.pl:unres...
2015-02-25 Felipe PinedaMerge branch 'master' of mmka.chem.univ.gda.pl:unres...
2015-02-25 Cezary Czaplewskirespa now working without dfa weights
2015-02-20 Felipe PinedaMerge branch 'homology' of mmka.chem.univ.gda.pl:unres...
2015-02-20 Cezary CzaplewskiMerge branch 'prerelease-3.2.1'
2015-02-19 Adam SieradzanEBE change in prerealese-3.2.1 make dummy atom idependent
2015-02-16 Adam Sieradzanpoprawka w src_MD
2015-02-16 Adam SieradzanPoprawiony src_MD-M gradient
2015-02-12 Felipe Pineda1st running version of UNRES HM by FP and AL
2015-02-11 Adam SieradzanMerge branch 'prerelease-3.2.1' of mmka:unres into...
2015-02-11 Adam Sieradzanrozgrzebana minimalizacja
2015-02-11 Adam Sieradzanintro of SCCOR into src_MIN
2015-01-24 Adam LiwoCorrected refsys.f in src_MD-M
2015-01-24 Dawid Jagiełaremoved maxlik paths from cmake sources
2015-01-23 Adam Liworefsys
2015-01-23 Adam LiwoMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
2015-01-23 Adam LiwoCorrected refsys.f in src_MD-M
2015-01-22 Adam SieradzanMerge branch 'prerelease-3.2.1' of mmka:unres into...
2015-01-19 Adam Sieradzandzialajacy wham+poprawka w funckji energi+ poprawka...
2015-01-08 Cezary Czaplewskidfa.F was missing form cmake configurations files
2015-01-08 Cezary CzaplewskiMakefiles for mpich2 and some corrections to Makefiles
2015-01-05 Adam LiwoMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
2015-01-05 Adam LiwoAdded cinfo
2015-01-05 Adam LiwoMREMD corrected; Langevin mode (bcast instead of scatte...
2015-01-04 Adam Sieradzanpoprawka gradientu w CSA
2015-01-04 Adam SieradzanNaprawienie wham'a oraz wprowadzenie SCcorr do CSA
2014-12-30 Adam Sieradzanwprowadzenie do multichaina SCcorr
2014-12-19 Adam Sieradzandebug w poszukiwaniu bledu w ostatniej reszcie
2014-12-18 Adam Kazimierz... dodanie czytania wagi wsccor do clustrowania-M
2014-12-18 Adam Kazimierz... Wstawnieni SCCOR dla clustrowania. Nie wiadomo czy...
2014-12-18 Adam Kazimierz... Wprowadzenie SCCOR dla wham-M
2014-12-18 Adam Kazimierz... Rozgrzebany SCCOR dla wham-M
2014-12-17 Adam Kazimierz... Poprawiony SCR_MD-M i dzialajacy
2014-12-17 Adam Kazimierz... Wprowadznie potencjalow SC-COR do multichain oraz ich...
2014-12-17 Adam SieradzanMerge branch 'prerelease-3.2.1' of mmka:unres into...
2014-12-12 Dawid Jagielaremoved source/maxlik/src_CSA dir from CMake
2014-12-12 Adam LiwoAgain, documentation updated
2014-12-12 Adam LiwoDocumentation updated
2014-12-11 Adam LiwoMinor change in documentation (installman) v.3.2.1
2014-12-11 Adam LiwoUpdated changelog, added minimization-only version...
2014-12-11 Adam LiwoCreated binaries and fixed bugs when compiling single...
2014-12-07 Dawid Jagiełaremoved CSA_DiL sources from CMake
2014-12-05 Cezary Czaplewskicorrection to 4P energy and csa examples
2014-12-05 Cezary Czaplewskicorrected example CSA run with 4P
2014-12-05 Cezary Czaplewskinew options for mpich2 with gfortran Makefile
2014-12-05 Cezary Czaplewskisrc_CSA_DiL removed from prerelease, current version...
2014-12-04 Adam LiwoAdded the change docs by Adam
2014-12-04 Adam LiwoMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
2014-12-04 Adam LiwoYet more changes in the documentation ( by Adam)
2014-12-04 Adam LiwoRevised documentation by Adam
2014-11-28 Cezary Czaplewskitesting 2D replica exchange with FPROCS>1
2014-11-28 Dawid Jagielachanged FF preprocesor flags in src_CSA_DiL/CMakeLists.txt
2014-11-28 Dawid JagielaMerge branch 'prerelease-3.2.1' of mmka:unres into...
2014-11-28 Adam LiwoUpdated INSTALL
2014-11-28 Adam LiwoMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
2014-11-28 Dawid Jagielafixed FF preprocesor flags for src_CSA/CMakeLists.txt
2014-11-28 Adam LiwoUpdated INSTALL
2014-11-28 Dawid Jagielachanged csa.f to csa.F in src_CSA/CMakeLists.txt sources
2014-11-28 Adam LiwoTrying to bring files - continued
2014-11-28 Adam LiwoTrying to bring the csa.F file to the repository.
2014-11-27 Adam LiwoAdditional fix of xdrfpdb binaries (creation of bin...
2014-11-27 Adam LiwoFixed Makefiles, handle all force fields thru appropria...
2014-11-09 Cezary Czaplewskirestart is now working with HOMOL_NSET
2014-11-07 Cezary Czaplewskiuntrack *.exe in git
2014-11-07 Cezary Czaplewskisome corrections to 2D replica exchange with homology
2014-11-07 Cezary Czaplewski2D replica exchange with homology constraints
2014-11-05 Dawid JagielaMerge branch 'prerelease-3.2.1' of mmka:unres into...
2014-11-05 Dawid Jagielactest ala10 binary location fix
2014-11-05 Dawid JagiełaAdded CMake build instructions
2014-10-31 Dawid Jagielafix for multiple MPI include paths passed by MPI wrapper
2014-10-27 Dawid Jagiela1) binaries are compiled into /bin subdirectory of...
2014-10-26 Dawid Jagiela1) Threading cleanup in src_CSA & src_CSA_DiL
2014-10-26 Dawid Jagielaswitched to CMake FindMPI module in all source files...
2014-10-26 Dawid Jagielaadded missing preprocessor flags for prng_32.F
2014-10-25 Dawid Jagielaprng.f unification
2014-10-17 Felipe PinedaAdam's homology version of unres with new readpdb.F...
2014-10-16 Dawid Jagiela64-bit fix for unres/CSA and unres/CSA_DiL code
2014-10-14 Dawid JagiełaMerge branch 'prerelease-3.2.1' of mmka:unres into...
2014-10-14 Dawid Jagiełafixed CMake variable typo
2014-10-08 Cezary Czaplewskicorrect default option for compilers in cluster CmakeLi...
2014-10-08 Cezary Czaplewskicorrect default option for compilers in wham CmakeList.txt
2014-09-11 Adam Sieradzandodanie parametrow
2014-04-25 Dawid Jagiela1) added warnings suppression if find_package(MPI)...
2013-11-20 Pawel KrupaPoprawione przyklady w polu ff_gab (zmieniony potencjal... v.3.2
2013-11-20 Pawel KrupaPoprawione przyklady do pola ff_gab (zmieniony potencja...
2013-11-05 Adam SieradzanDebug part 1
2013-10-07 Adam Sieradzansmall correctian in wham
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