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[unres.git] / source / wham /
2016-06-20 Cezary Czaplewskicmake multichain wham cluster_wham -mcmodel=medium tree | commitdiff
2016-05-17 Cezary Czaplewskicmake changes for pgf90 tree | commitdiff
2016-05-15 Pawel KrupaExtended maximum residue number and number of temperatures. tree | commitdiff
2016-05-14 Pawel KrupaMemory overflow correction. tree | commitdiff
2016-05-14 Pawel KrupaNumber of temperatures in WHAM changed from 32 to 36... tree | commitdiff
2016-04-28 Cezary Czaplewskictest -DUNRES_MPIRUN=1 for tryton tree | commitdiff
2016-04-28 Cezary Czaplewskicmake -mcmodel=medium for gfortran wham and cluster_wham tree | commitdiff
2016-04-27 Pawel KrupaAdded maxlik potentials for CASP12 and protein dimensio... tree | commitdiff
2016-04-25 Cezary Czaplewskictest on cray with srun all tests tree | commitdiff
2016-04-18 Cezary Czaplewskictest works with lam mpi tree | commitdiff
2016-04-01 Cezary Czaplewskifirst and last GLY in seq gives correct energy in unres... tree | commitdiff
2016-04-01 Cezary Czaplewski1st GLY in seq gives correct energy in unres and wham tree | commitdiff
2016-03-24 Cezary Czaplewskicluster_wham src-M agrees with src for single chain tree | commitdiff
2016-03-24 Cezary Czaplewskictest wham and cluster_wham correction tree | commitdiff
2016-03-23 Cezary Czaplewskiwham & cluster_wham energy correction to match unres... tree | commitdiff
2016-03-23 Cezary Czaplewskiwham thermal format $ correction for gfortran tree | commitdiff
2016-03-18 Cezary CzaplewskiMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda... tree | commitdiff
2016-03-18 Cezary Czaplewskiarcos = 0.5D0*(PI-DSIGN(1.0D0,X)*PI) tree | commitdiff
2016-03-17 Cezary CzaplewskiAdam's corrections to wham from homology branch 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 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
2015-12-18 Adam LiwoFized same buffer issue in gather and gatherv in wham... tree | commitdiff
2015-05-07 Cezary Czaplewskiadding in cmake UNRES_MD_FF = 4P for wham and cluster tree | commitdiff
2015-05-07 Cezary Czaplewskifixed binary names for cmake (update) tree | commitdiff
2015-05-06 Dawid Jagielafixed install binary paths 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
2015-01-05 Adam LiwoMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda... tree | commitdiff
2015-01-05 Adam LiwoAdded cinfo tree | commitdiff
2015-01-04 Adam SieradzanNaprawienie wham'a oraz wprowadzenie SCcorr do CSA 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
2014-11-28 Adam LiwoTrying to bring files - continued tree | commitdiff
2014-11-27 Adam LiwoFixed Makefiles, handle all force fields thru appropria... tree | commitdiff
2014-10-27 Dawid Jagiela1) binaries are compiled into /bin subdirectory of... tree | commitdiff
2014-10-26 Dawid Jagielaswitched to CMake FindMPI module in all source files... tree | commitdiff
2014-10-08 Cezary Czaplewskicorrect default option for compilers in wham CmakeList.txt tree | commitdiff
2013-08-31 Adam Kazimierz Sie... Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda... tree | commitdiff
2013-08-31 Adam Kazimierz Sie... zmiany w prereleasie drobne tree | commitdiff
2013-08-12 Adam Sieradzanchanges for DIMENSION for smaller size MEMory tree | commitdiff
2013-08-08 Adam SieradzanMerge branch 'prerelease-3.2.1' of mmka:unres into... tree | commitdiff
2013-08-07 Cezary Czaplewskidecrease of Max_Parm to 32 necessary for 4GB machine tree | commitdiff
2013-08-07 Adam Sieradzanmerge... tree | commitdiff
2013-08-07 Adam Sieradzanusuniecie diagnostyki tree | commitdiff
2013-07-25 Dawid Jagielafixed WHAM for gfortran: src/energy_p_new.F tree | commitdiff
2013-06-28 Adam Kazimierz Sie... Just few comments added to WHAM to clarify tree | commitdiff
2013-06-28 Adam Kazimierz Sie... Bugfix for SS wham and introduction SS to cluster analysis tree | commitdiff
2013-06-25 Adam Kazimierz Sie... Dodanie dynamic disulfide to WHAM tree | commitdiff
2013-02-17 Adam LiwoFixed the addition of dummy chain ends to structures... tree | commitdiff
2013-02-16 Cezary Czaplewskicommon sccor rename to avoid conflict with torsion tree | commitdiff
2013-01-10 Dawid Jagielafixed missing closing bracket tree | commitdiff
2013-01-10 Dawid JagielaWHAM -DISNAN fix tree | commitdiff
2013-01-10 Dawid Jagielaadded UNRES_MD_FF setting for WHAM in (wham & cluster... tree | commitdiff
2012-11-23 Dawid Jagielagfortran fixes in local_move.f, energy_p_new.F & initia... tree | commitdiff
2012-11-23 Dawid Jagielaforce legacy standard for gfortran tree | commitdiff
2012-10-31 Dawid JagielaCMake makro cinfo.f fix tree | commitdiff
2012-09-20 Adam LiwoMerge branch 'devel' of mmka.chem.univ.gda.pl:unres... tree | commitdiff
2012-09-20 Adam LiwoUpdate tree | commitdiff
2012-08-20 Dawid Jagiela1. cmake cinfo.f generation for all sources 2. deleted... tree | commitdiff
2012-07-31 Adam Kazimierz Sie... poprawka clustrowania z potencjalami wsccor (zle czytan... tree | commitdiff
2012-07-19 Dawid JagielaMerge branch 'devel' of mmka:unres into devel tree | commitdiff
2012-07-19 Dawid Jagielacinfo.f generation and macro for unres MD tree | commitdiff
2012-07-18 Adam LiwoMerge branch 'devel' into adam tree | commitdiff
2012-07-18 Adam Liwocinfo tree | commitdiff
2012-07-18 Adam Kazimierz Sie... modified Makefile tree | commitdiff
2012-07-18 Adam Kazimierz Sie... hotfix parmread tree | commitdiff
2012-07-18 Adam LiwoImplement minor changes on branch adam tree | commitdiff
2012-07-18 Adam Kazimierz Sie... Revert "Merge branch 'adasko' into devel" tree | commitdiff
2012-07-17 Adam Kazimierz Sie... Merge branch 'adasko' into devel tree | commitdiff
2012-07-09 Adam Kazimierz Sie... D i L aminokwasy tuz przed testami tree | commitdiff
2012-07-06 Adam Kazimierz Sie... proba pullowania tree | commitdiff
2012-07-06 Adam Kazimierz Sie... Zabijanie robakow znalezionych przez Pawla w WHAMie tree | commitdiff
2012-07-06 Adam Kazimierz Sie... zmiana do DiL tree | commitdiff
2012-07-05 Adam LiwoMerge branch 'adam' into devel tree | commitdiff
2012-07-05 Adam LiwoMinor change tree | commitdiff
2012-07-05 Adam LiwoMerge branch 'adam' into devel tree | commitdiff
2012-07-05 Adam Liwo5/7/2012 by Adam tree | commitdiff
2012-07-05 Adam Kazimierz Sie... hotfix of SCCOR potentials tree | commitdiff
2012-07-05 Adam Kazimierz Sie... Rozgrzebany DIL tree | commitdiff
2012-06-27 Dawid Jagielafixed broken (by adasko) alignment in COMMON.SCCOR tree | commitdiff
2012-06-27 Adam Kazimierz Sie... Merge branch 'adasko' into devel tree | commitdiff
2012-06-27 Adam Kazimierz Sie... glupia zmiana tree | commitdiff
2012-06-27 Adam Kazimierz Sie... Wprowadzenie SCCOR do WHAMa i CLUSTROWNIA tree | commitdiff
2012-06-18 Dawid Jagielaadded gnmr1.f to sources in cmake builds tree | commitdiff
2012-06-18 Adam LiwoMerge branch 'devel' of mmka.chem.univ.gda.pl:unres... tree | commitdiff
2012-06-11 Adam Liwo6/11/2012 Changes of the CSA version tree | commitdiff
2012-05-29 Adam Liwo5/29/2012 by Adam tree | commitdiff
2012-05-27 Dawid Jagielaincluded <stdio.h> in proc_proc.c tree | commitdiff
2012-05-27 Dawid Jagielasscanf EOF fix in source/wham/src-M/proc_proc.c tree | commitdiff
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