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introduction of shielding effect (volume of overlap)
[unres.git] / source / wham /
2015-08-06 Adam SieradzanMerge branch 'devel' into AFM tree | commitdiff
2015-08-03 Adam Sieradzan1) debug of Lorentzian like constrains in cluster 2... tree | commitdiff
2015-08-02 Adam Sieradzanfirst introduction of valence constrains - not working yet tree | commitdiff
2015-07-31 Adam Sieradzanintroduction of different ftors for each site tree | commitdiff
2015-07-28 Adam SieradzanIntoduction Lorentizan like restrains to cluster tree | commitdiff
2015-07-21 Adam SieradzanWHAM for Lorentzian like constrains fixed - DEBUG OFF tree | commitdiff
2015-07-20 Adam Sieradzandebuging WHAM for constrains DEBUG ON tree | commitdiff
2015-07-10 Adam Sieradzanintroduction of quartic an Lonrentz constrains to WHAM tree | commitdiff
2015-05-25 Adam Sieradzanhidden part of debug tree | commitdiff
2015-05-25 Adam Sieradzannss*ebr removed tree | commitdiff
2015-05-25 Adam Sieradzancxread debug 7 tree | commitdiff
2015-05-25 Adam Sieradzandebug part 6 tree | commitdiff
2015-05-25 Adam SieradzanDebug 5 tree | commitdiff
2015-05-25 Adam Sieradzananother DEBUG tree | commitdiff
2015-05-25 Adam Sieradzandubug dss part 3 tree | commitdiff
2015-05-25 Adam Sieradzandiffrent name for evdw tree | commitdiff
2015-05-25 Adam SieradzanTRISS debug tree | commitdiff
2015-05-25 Adam SieradzanWarnig Debug ON tree | commitdiff
2015-05-24 Adam SieradzanCorrected WHAM and UNRES reading in SS dyn... tree | commitdiff
2015-05-23 Adam SieradzanIntroduction of working dyn_ss and triss. Problems... tree | commitdiff
2015-05-23 Adam SieradzanCorrection in readrtns tree | commitdiff
2015-05-23 Adam SieradzanChange in line of dyn_ss tree | commitdiff
2015-05-22 Adam SieradzanAdding dyn_ss and triss potentials to src-M wham tree | commitdiff
2015-05-06 Dawid Jagielafixed install binary paths tree | commitdiff
2015-04-21 Pawel KrupaMPICH2 and energy fixes in WHAM-M and Cluster-M. tree | commitdiff
2015-04-17 Pawel KrupaFixed error caused by new MPICH2, which made WHAM-M... tree | commitdiff
2015-04-16 Pawel KrupaFixed energy differs in WHAM-M (EBE). tree | commitdiff
2015-04-05 Dawid Jagielaadded Force-Fields descriptions in exe filenames tree | commitdiff
2014-12-17 Adam SieradzanMerge branch 'master' of mmka:unres tree | commitdiff
2014-12-17 Adam SieradzanMerge branch 'master' of mmka:unres into multichain 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
2014-11-05 Dawid JagielaMerge branch 'prerelease-3.2.1' into devel 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
2014-10-26 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
2014-09-11 Adam Kazimierz Sie... poprawka w triss tree | commitdiff
2014-06-10 Adam SieradzanIntroduction of PBC to cluster energy and reading,... tree | commitdiff
2014-05-25 Adam Kazimierz Sie... zmiany, wylaczenie diagnostyki, dzialajacy WHAM tree | commitdiff
2014-05-21 Adam Kazimierz Sie... diagnoza dlaczego WHAM nie dziala tree | commitdiff
2014-05-15 Adam Kazimierz Sie... zmiany w WHAM PBC przed sprawdzeniem differow tree | commitdiff
2014-04-10 Adam LiwoMerge branch 'devel' of mmka.chem.univ.gda.pl:unres... tree | commitdiff
2014-04-10 Adam LiwoAdded source/wham/src-NEWSC-NEWCORR/ tree | commitdiff
2014-04-10 Adam LiwoAdded src_MD-M-newcorr (Adasko's source) and src-NEWSC... tree | commitdiff
2014-04-01 Adam LiwoAdded src_Eshel (decoy processing for threading) tree | commitdiff
2013-11-06 Dawid JagielaMerge branch 'devel' of mmka:unres into devel tree | commitdiff
2013-11-06 Dawid Jagielajunk files cleanup tree | commitdiff
2013-11-05 Adam SieradzanBugfix for smaller size of memory tree | commitdiff
2013-11-05 Adam SieradzanDebug part 11 tree | commitdiff
2013-11-05 Adam SieradzanDebug part 10 tree | commitdiff
2013-11-05 Adam SieradzanDebug part 9 tree | commitdiff
2013-11-05 Adam SieradzanDebug part 8 tree | commitdiff
2013-11-05 Adam SieradzanDebug part 7 tree | commitdiff
2013-11-05 Adam SieradzanDebug part 2 tree | commitdiff
2013-11-05 Adam Sieradzanpierwsza proba merga devela do adasko tree | commitdiff
2013-11-05 Adam SieradzanDostosowanie w src whama i clustra 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 JagielaMerge branch 'prerelease-3.2.1' into devel tree | commitdiff
2013-07-25 Dawid JagielaMerge branch 'prerelease-3.2.1' into devel tree | commitdiff
2013-07-25 Dawid Jagielafixed WHAM for gfortran: src/energy_p_new.F 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... 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
2013-06-28 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
2013-06-25 Adam Kazimierz Sie... Dodanie dynamic disulfide to WHAM tree | commitdiff
2013-04-12 Dawid Jagielaadded default preprocessor flags for unknown compilers tree | commitdiff
2013-04-12 Dawid Jagielaadded default preprocessor flags for unknown compilers tree | commitdiff
2013-02-17 Adam LiwoFixed the addition of dummy chain ends to structures... tree | commitdiff
2013-02-17 Adam LiwoFixed the addition of dummy chain ends to structures... tree | commitdiff
2013-02-17 Adam LiwoFixed the addition of dummy chain ends to structures... 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
2013-02-16 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 Jagielafixed missing closing bracket tree | commitdiff
2013-01-10 Dawid JagielaWHAM -DISNAN fix 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
2013-01-10 Dawid Jagielaadded UNRES_MD_FF setting for WHAM in (wham & cluster... tree | commitdiff
2013-01-06 Adam SieradzanWprowadzenie do Clustrowania D-aminokwasow w polu Yi tree | commitdiff
2012-12-18 Adam SieradzanUsuniecie diagnostyki tree | commitdiff
2012-12-10 Adam Sieradzanzmiana w COMMONIE tree | commitdiff
2012-12-06 Adam Sieradzanbugfix w whamie w parmreadzie tree | commitdiff
2012-12-06 Adam Sieradzanbugfix przekroczenia granic tree | commitdiff
2012-12-05 Adam Sieradzanzmaina w xdrf tree | commitdiff
2012-12-03 Andrei NiadzvedtskiZmiany w COMMONach tree | commitdiff
2012-12-03 Adam Kazimierz Sie... poprawka w liczbie ntyp tree | commitdiff
2012-12-03 Andrei NiadzvedtskiZmiana w wham-m dla pola Yi tree | commitdiff
2012-12-03 Adam Kazimierz Sie... Zmiany do WHAM-M dla pola Yi tree | commitdiff
2012-11-30 Adam Sieradzanzmiana w symetry (bugfix) tree | commitdiff
2012-11-23 Dawid Jagielagfortran fixes in local_move.f, energy_p_new.F & initia... tree | commitdiff
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UNRESPACK 3.x