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corretion .ge.-pi instead of .gt.-pi in intcartderiv
[unres.git] / source /
2016-03-14 Cezary Czaplewskicorretion .ge.-pi instead of .gt.-pi in intcartderiv tree | commitdiff
2016-03-14 Cezary Czaplewskieback_sc_corr do intertyp=1,3 tree | commitdiff
2016-03-12 Cezary Czaplewskictest ENE changed to minimize unres_pdb structure tree | commitdiff
2016-03-11 Cezary Czaplewskictest cluster int for csa output tree | commitdiff
2016-03-11 Cezary Czaplewskicmake corrections to unres/src_MIN tree | commitdiff
2016-03-10 Cezary Czaplewskicorrections to unres src_MIN tree | commitdiff
2016-03-10 Cezary Czaplewskictest unres src_MIN and changes for the same energy... tree | commitdiff
2016-03-10 Cezary Czaplewskictest cluster_wham src-M tree | commitdiff
2016-03-10 Cezary Czaplewskictest cluster_wham tree | commitdiff
2016-03-10 Cezary Czaplewskicleaning of cluster_wham tree | commitdiff
2016-03-10 Cezary Czaplewskicorrection after cherry-pick and merge in last commit tree | commitdiff
2016-03-10 Cezary CzaplewskiAdam's changes to wham and cluster following previous... tree | commitdiff
2016-03-10 Cezary Czaplewskicorrections to cluster_wham tree | commitdiff
2016-03-10 Cezary Czaplewskiwham src-M correction to make it working tree | commitdiff
2016-03-10 Cezary Czaplewskicorrection to previous commit again tree | commitdiff
2016-03-10 Cezary Czaplewskicorrection to previous commit tree | commitdiff
2016-03-10 Cezary Czaplewskictest wham in src-M tree | commitdiff
2016-03-10 Cezary CzaplewskiMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda... tree | commitdiff
2016-03-10 Cezary Czaplewskictest wham tree | commitdiff
2016-03-10 Cezary Czaplewskirevert DIMENSIONS corrected maxterm_sccor=6 tree | commitdiff
2016-03-10 Cezary CzaplewskiMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda... tree | commitdiff
2016-03-10 Cezary Czaplewskiwham cmake ifort options for larger data tree | commitdiff
2016-03-10 Cezary CzaplewskiDIMENSIONS corrected maxterm_sccor=20 tree | commitdiff
2016-03-09 Cezary Czaplewskictest update for src_MD-M test to match src_MD tree | commitdiff
2016-03-09 Cezary Czaplewskictest corrections to mpi script and remd test tree | commitdiff
2016-03-09 Cezary Czaplewskictest for remd tree | commitdiff
2016-03-09 Cezary Czaplewskiminimization in internal coordinates works in src_MD-M tree | commitdiff
2016-03-09 Cezary Czaplewskictest correction to previous commit tree | commitdiff
2016-03-09 Cezary Czaplewskictest for Nose-Hoover removed from srcMD-M tree | commitdiff
2016-03-08 Cezary Czaplewskicorrections to src_MD-M for the same energy as src_MD tree | commitdiff
2016-03-08 Cezary Czaplewskictest for src_MD-M copied from src_MD tree | commitdiff
2016-03-08 Cezary Czaplewskictest local csa added with 4P force field tree | commitdiff
2016-03-08 Cezary Czaplewskictest for thermostats: Langevin, Nose-Hoover and Berendsen tree | commitdiff
2016-03-04 Cezary CzaplewskiAdam's changes to avoid wrong XG.. or ..GX sequence... tree | commitdiff
2016-03-02 Cezary Czaplewskictest for CSA global with 4P force field tree | commitdiff
2016-03-02 Cezary Czaplewskictest works with lam and mpich tree | commitdiff
2016-03-02 Cezary Czaplewskictest for internal coordinates and regular minimization tree | commitdiff
2016-02-29 Cezary Czaplewskictest for minimization and microcanonical MD tree | commitdiff
2016-02-29 Cezary Czaplewskicorrection to previous commit CTEST_FULL_OUTPUT tree | commitdiff
2016-02-29 Cezary Czaplewskiadded echo CTEST_FULL_OUTPUT (Avoid ctest truncation... tree | commitdiff
2016-02-29 Cezary Czaplewskictest for E0LL2Y with MPI now using FGPROCS=2 tree | commitdiff
2016-02-29 Cezary Czaplewskictest for E0LL2Y with reference energy diff tree | commitdiff
2016-02-11 Adam Sieradzanadding correction in cluster debug tree | commitdiff
2015-12-20 Adam LiwoMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda... tree | commitdiff
2015-12-18 Adam LiwoFized same buffer issue in gather and gatherv in wham... tree | commitdiff
2015-11-26 Adam Liwoxdrf added to cluster tree | commitdiff
2015-10-27 Cezary CzaplewskiENERGY_DEC printout works for ESTR tree | commitdiff
2015-10-26 Cezary Czaplewski ENERGY_DEC printout works for ebend in E0LL2Y forcefield tree | commitdiff
2015-10-14 Cezary Czaplewskiswitch off debugging in src_MD-M tree | commitdiff
2015-10-08 Cezary Czaplewskienergy_dec works with etors_d tree | commitdiff
2015-09-30 Adam LiwoChanges AL tree | commitdiff
2015-07-07 Cezary Czaplewskirestraints from contact prediction for CSA version tree | commitdiff
2015-06-05 Adam Liwoby Adam tree | commitdiff
2015-05-10 Adam LiwoImport fixed makefiles in cluster tree | commitdiff
2015-05-10 Adam LiwoFixed geomout.F tree | commitdiff
2015-05-10 Adam LiwoMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda... tree | commitdiff
2015-05-07 Cezary Czaplewskiadding in cmake UNRES_MD_FF = 4P for wham and cluster tree | commitdiff
2015-05-07 Cezary Czaplewskiadding in cmake UNRES_MD_FF = 4P for src_MD and src_MD-M tree | commitdiff
2015-05-07 Cezary Czaplewskifixed binary names for cmake (update) tree | commitdiff
2015-05-07 Cezary Czaplewskifixed binary names for cmake and make tree | commitdiff
2015-05-07 Cezary CzaplewskiMerge branch 'prerelease-3.2.1' tree | commitdiff
2015-05-07 Cezary CzaplewskiMerge branch 'master' of mmka.chem.univ.gda.pl:unres tree | commitdiff
2015-05-06 Dawid Jagielafixed install binary paths tree | commitdiff
2015-05-06 Adam LiwoFixed Makefiles in clust/src_MD-M tree | commitdiff
2015-05-06 Adam Sieradzancorrection in readpdb (bugfix) tree | commitdiff
2015-05-06 Adam Sieradzancorrection in readpdb (bugfix) tree | commitdiff
2015-04-08 Adam LiwoBy Adam tree | commitdiff
2015-03-25 Cezary Czaplewskichanges to avoid PMPI_Scatterv: Invalid buffer pointer... tree | commitdiff
2015-03-13 Cezary Czaplewskichanges to avoid PMPI_Scatterv: Invalid buffer pointer... tree | commitdiff
2015-02-25 Adam SieradzanFinding undefined tua... tree | commitdiff
2015-02-24 Adam Sieradzanzmiany przywracajace TURN dla dummy i rozszerzajace... tree | commitdiff
2015-02-23 Adam Sieradzanpoprawka turn3 i turn4 uwaga moga byc wlaczone diagnostki tree | commitdiff
2015-02-19 Adam SieradzanEBE change in prerealese-3.2.1 make dummy atom idependent tree | commitdiff
2015-02-16 Adam Sieradzanpoprawka w src_MD tree | commitdiff
2015-02-16 Adam SieradzanPoprawiony src_MD-M gradient tree | commitdiff
2015-02-11 Adam SieradzanMerge branch 'prerelease-3.2.1' of mmka:unres into... tree | commitdiff
2015-02-11 Adam Sieradzanrozgrzebana minimalizacja tree | commitdiff
2015-02-11 Adam Sieradzanintro of SCCOR into src_MIN tree | commitdiff
2015-01-24 Adam LiwoCorrected refsys.f in src_MD-M tree | commitdiff
2015-01-23 Adam Liworefsys tree | commitdiff
2015-01-23 Adam LiwoMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda... tree | commitdiff
2015-01-23 Adam LiwoCorrected refsys.f in src_MD-M tree | commitdiff
2015-01-22 Adam SieradzanMerge branch 'prerelease-3.2.1' of mmka:unres into... tree | commitdiff
2015-01-19 Adam Sieradzandzialajacy wham+poprawka w funckji energi+ poprawka... tree | commitdiff
2015-01-08 Cezary CzaplewskiMakefiles for mpich2 and some corrections to Makefiles tree | commitdiff
2015-01-05 Adam LiwoMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda... tree | commitdiff
2015-01-05 Adam LiwoAdded cinfo tree | commitdiff
2015-01-05 Adam LiwoMREMD corrected; Langevin mode (bcast instead of scatte... tree | commitdiff
2015-01-04 Adam Sieradzanpoprawka gradientu w CSA tree | commitdiff
2015-01-04 Adam SieradzanNaprawienie wham'a oraz wprowadzenie SCcorr do CSA tree | commitdiff
2014-12-30 Adam Sieradzanwprowadzenie do multichaina SCcorr tree | commitdiff
2014-12-19 Adam Sieradzandebug w poszukiwaniu bledu w ostatniej reszcie tree | commitdiff
2014-12-18 Adam Kazimierz Sie... dodanie czytania wagi wsccor do clustrowania-M tree | commitdiff
2014-12-18 Adam Kazimierz Sie... Wstawnieni SCCOR dla clustrowania. Nie wiadomo czy... tree | commitdiff
2014-12-18 Adam Kazimierz Sie... Wprowadzenie SCCOR dla wham-M tree | commitdiff
2014-12-18 Adam Kazimierz Sie... Rozgrzebany SCCOR dla wham-M tree | commitdiff
2014-12-17 Adam Kazimierz Sie... Poprawiony SCR_MD-M i dzialajacy tree | commitdiff
2014-12-17 Adam Kazimierz Sie... Wprowadznie potencjalow SC-COR do multichain oraz ich... tree | commitdiff
2014-12-11 Adam LiwoUpdated changelog, added minimization-only version... tree | commitdiff
2014-12-11 Adam LiwoCreated binaries and fixed bugs when compiling single... tree | commitdiff
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