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Merge branch 'master' of mmka.chem.univ.gda.pl:unres
[unres.git] / source / wham
2017-09-25 Cezary CzaplewskiMerge branch 'prerelease-3.2.1' commit | commitdiff
2017-09-25 Cezary CzaplewskiMerge branch 'prerelease-3.2.1' commit | commitdiff
2016-06-20 Cezary Czaplewskicmake multichain wham cluster_wham -mcmodel=medium commit | commitdiff
2016-06-20 Cezary Czaplewskicmake multichain wham cluster_wham -mcmodel=medium commit | commitdiff
2016-05-17 Cezary Czaplewskicmake changes for pgf90 commit | commitdiff
2016-05-17 Cezary Czaplewskicmake changes for pgf90 commit | commitdiff
2016-05-15 Pawel KrupaExtended maximum residue number and number of temperatures. commit | commitdiff
2016-05-15 Pawel KrupaExtended maximum residue number and number of temperatures. commit | commitdiff
2016-05-14 Pawel KrupaMemory overflow correction. commit | commitdiff
2016-05-14 Pawel KrupaMemory overflow correction. commit | commitdiff
2016-05-14 Pawel KrupaNumber of temperatures in WHAM changed from 32 to 36... commit | commitdiff
2016-05-14 Pawel KrupaNumber of temperatures in WHAM changed from 32 to 36... commit | commitdiff
2016-04-28 Cezary Czaplewskictest -DUNRES_MPIRUN=1 for tryton commit | commitdiff
2016-04-28 Cezary Czaplewskictest -DUNRES_MPIRUN=1 for tryton commit | commitdiff
2016-04-28 Cezary Czaplewskicmake -mcmodel=medium for gfortran wham and cluster_wham commit | commitdiff
2016-04-28 Cezary Czaplewskicmake -mcmodel=medium for gfortran wham and cluster_wham commit | commitdiff
2016-04-27 Pawel KrupaAdded maxlik potentials for CASP12 and protein dimensio... commit | commitdiff
2016-04-27 Pawel KrupaAdded maxlik potentials for CASP12 and protein dimensio... commit | commitdiff
2016-04-25 Cezary Czaplewskictest on cray with srun all tests commit | commitdiff
2016-04-25 Cezary Czaplewskictest on cray with srun all tests commit | commitdiff
2016-04-18 Cezary Czaplewskictest works with lam mpi commit | commitdiff
2016-04-18 Cezary Czaplewskictest works with lam mpi commit | commitdiff
2016-04-01 Cezary Czaplewskifirst and last GLY in seq gives correct energy in unres... commit | commitdiff
2016-04-01 Cezary Czaplewskifirst and last GLY in seq gives correct energy in unres... commit | commitdiff
2016-04-01 Cezary Czaplewski1st GLY in seq gives correct energy in unres and wham commit | commitdiff
2016-04-01 Cezary Czaplewski1st GLY in seq gives correct energy in unres and wham commit | commitdiff
2016-03-24 Cezary Czaplewskicluster_wham src-M agrees with src for single chain commit | commitdiff
2016-03-24 Cezary Czaplewskicluster_wham src-M agrees with src for single chain commit | commitdiff
2016-03-24 Cezary Czaplewskictest wham and cluster_wham correction commit | commitdiff
2016-03-24 Cezary Czaplewskictest wham and cluster_wham correction commit | commitdiff
2016-03-23 Cezary Czaplewskiwham & cluster_wham energy correction to match unres... commit | commitdiff
2016-03-23 Cezary Czaplewskiwham & cluster_wham energy correction to match unres... commit | commitdiff
2016-03-23 Cezary Czaplewskiwham thermal format $ correction for gfortran commit | commitdiff
2016-03-23 Cezary Czaplewskiwham thermal format $ correction for gfortran commit | commitdiff
2016-03-18 Cezary CzaplewskiMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda... commit | commitdiff
2016-03-18 Cezary CzaplewskiMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda... commit | commitdiff
2016-03-18 Cezary Czaplewskiarcos = 0.5D0*(PI-DSIGN(1.0D0,X)*PI) commit | commitdiff
2016-03-18 Cezary Czaplewskiarcos = 0.5D0*(PI-DSIGN(1.0D0,X)*PI) commit | commitdiff
2016-03-17 Cezary CzaplewskiAdam's corrections to wham from homology branch commit | commitdiff
2016-03-17 Cezary CzaplewskiAdam's corrections to wham from homology branch commit | commitdiff
2016-03-10 Cezary Czaplewskicorrection after cherry-pick and merge in last commit commit | commitdiff
2016-03-10 Cezary Czaplewskicorrection after cherry-pick and merge in last commit commit | commitdiff
2016-03-10 Cezary CzaplewskiAdam's changes to wham and cluster following previous... commit | commitdiff
2016-03-10 Cezary CzaplewskiAdam's changes to wham and cluster following previous... commit | commitdiff
2016-03-10 Cezary Czaplewskiwham src-M correction to make it working commit | commitdiff
2016-03-10 Cezary Czaplewskiwham src-M correction to make it working commit | commitdiff
2016-03-10 Cezary Czaplewskicorrection to previous commit again commit | commitdiff
2016-03-10 Cezary Czaplewskicorrection to previous commit again commit | commitdiff
2016-03-10 Cezary Czaplewskicorrection to previous commit commit | commitdiff
2016-03-10 Cezary Czaplewskicorrection to previous commit commit | commitdiff
2016-03-10 Cezary Czaplewskictest wham in src-M commit | commitdiff
2016-03-10 Cezary Czaplewskictest wham in src-M commit | commitdiff
2016-03-10 Cezary CzaplewskiMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda... commit | commitdiff
2016-03-10 Cezary CzaplewskiMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda... commit | commitdiff
2016-03-10 Cezary Czaplewskictest wham commit | commitdiff
2016-03-10 Cezary Czaplewskictest wham commit | commitdiff
2016-03-10 Cezary Czaplewskirevert DIMENSIONS corrected maxterm_sccor=6 commit | commitdiff
2016-03-10 Cezary Czaplewskirevert DIMENSIONS corrected maxterm_sccor=6 commit | commitdiff
2016-03-10 Cezary CzaplewskiMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda... commit | commitdiff
2016-03-10 Cezary CzaplewskiMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda... commit | commitdiff
2016-03-10 Cezary Czaplewskiwham cmake ifort options for larger data commit | commitdiff
2016-03-10 Cezary Czaplewskiwham cmake ifort options for larger data commit | commitdiff
2016-03-10 Cezary CzaplewskiDIMENSIONS corrected maxterm_sccor=20 commit | commitdiff
2016-03-10 Cezary CzaplewskiDIMENSIONS corrected maxterm_sccor=20 commit | commitdiff
2016-02-04 Adam LiwoFixed arcos commit | commitdiff
2016-02-04 Adam LiwoFixed arcos commit | commitdiff
2015-12-18 Adam LiwoFized same buffer issue in gather and gatherv in wham... commit | commitdiff
2015-12-18 Adam LiwoFized same buffer issue in gather and gatherv in wham... commit | commitdiff
2015-05-07 Cezary Czaplewskiadding in cmake UNRES_MD_FF = 4P for wham and cluster commit | commitdiff
2015-05-07 Cezary Czaplewskiadding in cmake UNRES_MD_FF = 4P for wham and cluster commit | commitdiff
2015-05-07 Cezary Czaplewskifixed binary names for cmake (update) commit | commitdiff
2015-05-07 Cezary Czaplewskifixed binary names for cmake (update) commit | commitdiff
2015-05-06 Dawid Jagielafixed install binary paths commit | commitdiff
2015-05-06 Dawid Jagielafixed install binary paths commit | commitdiff
2015-01-22 Adam SieradzanMerge branch 'prerelease-3.2.1' of mmka:unres into... commit | commitdiff
2015-01-22 Adam SieradzanMerge branch 'prerelease-3.2.1' of mmka:unres into... commit | commitdiff
2015-01-19 Adam Sieradzandzialajacy wham+poprawka w funckji energi+ poprawka... commit | commitdiff
2015-01-19 Adam Sieradzandzialajacy wham+poprawka w funckji energi+ poprawka... commit | commitdiff
2015-01-05 Adam LiwoMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda... commit | commitdiff
2015-01-05 Adam LiwoMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda... commit | commitdiff
2015-01-05 Adam LiwoAdded cinfo commit | commitdiff
2015-01-05 Adam LiwoAdded cinfo commit | commitdiff
2015-01-04 Adam SieradzanNaprawienie wham'a oraz wprowadzenie SCcorr do CSA commit | commitdiff
2015-01-04 Adam SieradzanNaprawienie wham'a oraz wprowadzenie SCcorr do CSA commit | commitdiff
2014-12-18 Adam Kazimierz Sie... Wstawnieni SCCOR dla clustrowania. Nie wiadomo czy... commit | commitdiff
2014-12-18 Adam Kazimierz Sie... Wstawnieni SCCOR dla clustrowania. Nie wiadomo czy... commit | commitdiff
2014-12-18 Adam Kazimierz Sie... Wprowadzenie SCCOR dla wham-M commit | commitdiff
2014-12-18 Adam Kazimierz Sie... Wprowadzenie SCCOR dla wham-M commit | commitdiff
2014-12-18 Adam Kazimierz Sie... Rozgrzebany SCCOR dla wham-M commit | commitdiff
2014-12-18 Adam Kazimierz Sie... Rozgrzebany SCCOR dla wham-M commit | commitdiff
2014-11-28 Adam LiwoTrying to bring files - continued commit | commitdiff
2014-11-28 Adam LiwoTrying to bring files - continued commit | commitdiff
2014-11-27 Adam LiwoFixed Makefiles, handle all force fields thru appropria... commit | commitdiff
2014-11-27 Adam LiwoFixed Makefiles, handle all force fields thru appropria... commit | commitdiff
2014-10-27 Dawid Jagiela1) binaries are compiled into /bin subdirectory of... commit | commitdiff
2014-10-27 Dawid Jagiela1) binaries are compiled into /bin subdirectory of... commit | commitdiff
2014-10-26 Dawid Jagielaswitched to CMake FindMPI module in all source files... commit | commitdiff
2014-10-26 Dawid Jagielaswitched to CMake FindMPI module in all source files... commit | commitdiff
2014-10-08 Cezary Czaplewskicorrect default option for compilers in wham CmakeList.txt commit | commitdiff
2014-10-08 Cezary Czaplewskicorrect default option for compilers in wham CmakeList.txt commit | commitdiff
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UNRESPACK 3.x