corrections to cluster_wham
[unres.git] / source /
2016-03-10 Cezary Czaplewskicorrections to cluster_wham
2016-03-10 Cezary Czaplewskiwham src-M correction to make it working
2016-03-10 Cezary Czaplewskicorrection to previous commit again
2016-03-10 Cezary Czaplewskicorrection to previous commit
2016-03-10 Cezary Czaplewskictest wham in src-M
2016-03-10 Cezary CzaplewskiMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
2016-03-10 Cezary Czaplewskictest wham
2016-03-10 Cezary Czaplewskirevert DIMENSIONS corrected maxterm_sccor=6
2016-03-10 Cezary CzaplewskiMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
2016-03-10 Cezary Czaplewskiwham cmake ifort options for larger data
2016-03-10 Cezary CzaplewskiDIMENSIONS corrected maxterm_sccor=20
2016-03-09 Cezary Czaplewskictest update for src_MD-M test to match src_MD
2016-03-09 Cezary Czaplewskictest corrections to mpi script and remd test
2016-03-09 Cezary Czaplewskictest for remd
2016-03-09 Cezary Czaplewskiminimization in internal coordinates works in src_MD-M
2016-03-09 Cezary Czaplewskictest correction to previous commit
2016-03-09 Cezary Czaplewskictest for Nose-Hoover removed from srcMD-M
2016-03-08 Cezary Czaplewskicorrections to src_MD-M for the same energy as src_MD
2016-03-08 Cezary Czaplewskictest for src_MD-M copied from src_MD
2016-03-08 Cezary Czaplewskictest local csa added with 4P force field
2016-03-08 Cezary Czaplewskictest for thermostats: Langevin, Nose-Hoover and Berendsen
2016-03-04 Cezary CzaplewskiAdam's changes to avoid wrong XG.. or ..GX sequence...
2016-03-02 Cezary Czaplewskictest for CSA global with 4P force field
2016-03-02 Cezary Czaplewskictest works with lam and mpich
2016-03-02 Cezary Czaplewskictest for internal coordinates and regular minimization
2016-02-29 Cezary Czaplewskictest for minimization and microcanonical MD
2016-02-29 Cezary Czaplewskicorrection to previous commit CTEST_FULL_OUTPUT
2016-02-29 Cezary Czaplewskiadded echo CTEST_FULL_OUTPUT (Avoid ctest truncation...
2016-02-29 Cezary Czaplewskictest for E0LL2Y with MPI now using FGPROCS=2
2016-02-29 Cezary Czaplewskictest for E0LL2Y with reference energy diff
2016-02-11 Adam Sieradzanadding correction in cluster debug
2015-12-20 Adam LiwoMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
2015-12-18 Adam LiwoFized same buffer issue in gather and gatherv in wham...
2015-11-26 Adam Liwoxdrf added to cluster
2015-10-27 Cezary CzaplewskiENERGY_DEC printout works for ESTR
2015-10-26 Cezary Czaplewski ENERGY_DEC printout works for ebend in E0LL2Y forcefield
2015-10-14 Cezary Czaplewskiswitch off debugging in src_MD-M
2015-10-08 Cezary Czaplewskienergy_dec works with etors_d
2015-09-30 Adam LiwoChanges AL
2015-07-07 Cezary Czaplewskirestraints from contact prediction for CSA version
2015-06-05 Adam Liwoby Adam
2015-05-10 Adam LiwoImport fixed makefiles in cluster
2015-05-10 Adam LiwoFixed geomout.F
2015-05-10 Adam LiwoMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
2015-05-07 Cezary Czaplewskiadding in cmake UNRES_MD_FF = 4P for wham and cluster
2015-05-07 Cezary Czaplewskiadding in cmake UNRES_MD_FF = 4P for src_MD and src_MD-M
2015-05-07 Cezary Czaplewskifixed binary names for cmake (update)
2015-05-07 Cezary Czaplewskifixed binary names for cmake and make
2015-05-07 Cezary CzaplewskiMerge branch 'prerelease-3.2.1'
2015-05-07 Cezary CzaplewskiMerge branch 'master' of mmka.chem.univ.gda.pl:unres
2015-05-06 Dawid Jagielafixed install binary paths
2015-05-06 Adam LiwoFixed Makefiles in clust/src_MD-M
2015-05-06 Adam Sieradzancorrection in readpdb (bugfix)
2015-05-06 Adam Sieradzancorrection in readpdb (bugfix)
2015-04-08 Adam LiwoBy Adam
2015-03-25 Cezary Czaplewskichanges to avoid PMPI_Scatterv: Invalid buffer pointer...
2015-03-13 Cezary Czaplewskichanges to avoid PMPI_Scatterv: Invalid buffer pointer...
2015-02-25 Adam SieradzanFinding undefined tua...
2015-02-24 Adam Sieradzanzmiany przywracajace TURN dla dummy i rozszerzajace...
2015-02-23 Adam Sieradzanpoprawka turn3 i turn4 uwaga moga byc wlaczone diagnostki
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
2015-02-11 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
2015-01-23 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 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 Sie... dodanie czytania wagi wsccor do clustrowania-M
2014-12-18 Adam Kazimierz Sie... Wstawnieni SCCOR dla clustrowania. Nie wiadomo czy...
2014-12-18 Adam Kazimierz Sie... Wprowadzenie SCCOR dla wham-M
2014-12-18 Adam Kazimierz Sie... Rozgrzebany SCCOR dla wham-M
2014-12-17 Adam Kazimierz Sie... Poprawiony SCR_MD-M i dzialajacy
2014-12-17 Adam Kazimierz Sie... Wprowadznie potencjalow SC-COR do multichain oraz ich...
2014-12-11 Adam LiwoUpdated changelog, added minimization-only version...
2014-12-11 Adam LiwoCreated binaries and fixed bugs when compiling single...
2014-12-05 Cezary Czaplewskinew options for mpich2 with gfortran Makefile
2014-12-05 Cezary Czaplewskisrc_CSA_DiL removed from prerelease, current version...
2014-11-28 Dawid Jagielachanged FF preprocesor flags in src_CSA_DiL/CMakeLists.txt
2014-11-28 Dawid Jagielafixed FF preprocesor flags for src_CSA/CMakeLists.txt
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
2014-11-27 Adam LiwoFixed Makefiles, handle all force fields thru appropria...
2014-11-05 Dawid Jagielactest ala10 binary location fix
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
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