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multichain wham ignores conf. energies>10E6 and speed up of starts
[unres.git] / source / cluster / wham / src /
2016-06-10 Cezary Czaplewskimultichain wham ignores conf. energies>10E6 and speed... tree | commitdiff
2016-06-08 Cezary Czaplewskisingle chain correction of dihedral homology restraints... tree | commitdiff
2016-05-05 Cezary Czaplewskidfa wham and cluster corrections tree | commitdiff
2016-05-05 Cezary Czaplewskiread2sigma in wham and cluster_wham tree | commitdiff
2016-04-29 Cezary Czaplewskictest -DUNRES_MPIRUN=1 for tryton tree | commitdiff
2016-04-27 Cezary Czaplewskictest copied from prerelease tree | commitdiff
2016-04-12 Cezary Czaplewskiconstr_homol corrections in wham and cluster_wham to... tree | commitdiff
2016-04-12 Cezary Czaplewskifirst and last GLY in seq gives correct energy in unres... tree | commitdiff
2016-03-18 Cezary Czaplewskiarcos = 0.5D0*(PI-DSIGN(1.0D0,X)*PI) tree | commitdiff
2016-03-04 Cezary CzaplewskiAdam's changes to wham and cluster following previous... tree | commitdiff
2016-03-03 Cezary Czaplewskimax_template instead of fix number 19 in wham and cluster tree | commitdiff
2016-02-25 Cezary Czaplewskidefault iset in cluster_wham set to 1 tree | commitdiff
2016-01-28 Cezary Czaplewskicompilation of large cluster_wham with -mcmodel=medium... tree | commitdiff
2016-01-28 Cezary Czaplewskicorrection to cluter_wham tree | commitdiff
2016-01-28 Cezary Czaplewskicleaning (links and backup files) tree | commitdiff
2016-01-28 Cezary Czaplewski wham with mpich2 (no aliasing) and new dimenstions tree | commitdiff
2016-01-28 Cezary Czaplewskimax_template=25 tree | commitdiff
2016-01-28 Cezary Czaplewski all CMakeLists.txt updated with corrected names and... tree | commitdiff
2015-10-27 Cezary Czaplewskiprintmat added to cmake tree | commitdiff
2015-07-31 Adam Liwopulled readrtns tree | commitdiff
2015-06-28 Adam LiwoFixes to compile WHAM and CLUSTER on AIX (nostromo... tree | commitdiff
2015-06-07 Adam LiwoAdded an option to compile unres, wham, and cluster... tree | commitdiff
2015-06-07 Adam LiwoFixes made in connection to Hamiltonian replica exchang... tree | commitdiff
2015-05-14 Adam LiwoFixed the following components: tree | commitdiff
2015-05-07 Cezary Czaplewskicmake compilation for cluster and wham repaired tree | commitdiff
2015-04-16 Felipe PinedaWHAM and CLUSTER with HM restraints by AL and FP tree | commitdiff
2014-12-11 Adam LiwoCreated binaries and fixed bugs when compiling single... 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 Jagiela1) Threading cleanup in src_CSA & src_CSA_DiL 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 cluster CmakeLi... tree | commitdiff
2013-11-05 Adam SieradzanDebug part 1 tree | commitdiff
2013-10-07 Adam Sieradzansmall correctian in wham tree | commitdiff
2013-06-28 Adam Kazimierz Sie... Bugfix for SS wham and introduction SS to cluster analysis 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 Jagielatcpu function fix for gfortran tree | commitdiff
2012-09-20 Adam LiwoMerge branch 'devel' of mmka.chem.univ.gda.pl:unres... tree | commitdiff
2012-07-31 Adam Kazimierz Sie... poprawka clustrowania z potencjalami wsccor (zle czytan... tree | commitdiff
2012-07-30 Adam Kazimierz Sie... poprawka w cluster dla potencjalow shelleya tree | commitdiff
2012-07-18 Adam LiwoMerge branch 'devel' into adam tree | commitdiff
2012-07-18 Adam LiwoImplement minor changes on branch adam tree | commitdiff
2012-07-18 Adam Kazimierz Sie... Revert "poprawka przy liczeniu tau w clustrze" tree | commitdiff
2012-07-06 Adam Kazimierz Sie... poprawki makefile ktore i tak zostan zmienione tree | commitdiff
2012-07-06 Adam Kazimierz Sie... wyrowanie COMMON>SCCOR tree | commitdiff
2012-07-06 Adam Kazimierz Sie... Wyrowanie w COmmonie... tree | commitdiff
2012-07-06 Adam Kazimierz Sie... poprawka przy liczeniu tau w clustrze 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 source/cluster/wham/src/gnmr1.f to cmake build tree | commitdiff
2012-06-18 Dawid Jagielaresolving merge conflicts 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
2012-05-26 Dawid Jagielaadded header for proc_proc.c tree | commitdiff
2012-05-25 Dawid Jagielagfortran fix for cluster/wham/src build tree | commitdiff
2012-05-20 Dawid Jagielacluster/wham hc.f gfortran fix tree | commitdiff
2012-05-20 Adam Liwo5/20/2012 by Adam tree | commitdiff
2012-05-18 Dawid Jagielaanother ascii art frame fix tree | commitdiff
2012-05-16 Dawid Jagielafixed typo tree | commitdiff
2012-05-16 Dawid Jagielaadded CMake files to build cluster/wham/src-M tree | commitdiff
2012-02-25 Dawid Jagiełaadded source code v.3.0 tree | commitdiff
UNRESPACK 3.x