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cmake src_CSA default -std=legacy
[unres.git] / source / cluster /
2020-09-05 Cezary Czaplewskicluster average over multiple temperatures tree | commitdiff
2020-05-15 Cezary Czaplewskisrc-M max_template=50 tree | commitdiff
2019-10-18 Cezary Czaplewskidist1cut wham & cluster tree | commitdiff
2018-07-20 Cezary Czaplewskino stop Bad cartesian readpdb cluster tree | commitdiff
2018-07-14 Cezary CzaplewskiREAD_HOMOL_FRAG src-M correction tree | commitdiff
2018-07-13 Cezary CzaplewskiREAD_HOMOL_FRAG wham cluster_wham src-M tree | commitdiff
2018-06-22 Cezary Czaplewskiwham and cluster_wham Adam's new constr_dist multichain tree | commitdiff
2018-06-22 Cezary Czaplewskicluster_wham Adam's new constr_dist single chain tree | commitdiff
2018-05-25 Cezary Czaplewskimax_template=50 wham cluster tree | commitdiff
2018-05-16 Cezary Czaplewskiwham & cluster src_MD-M new HOMOL energy tree | commitdiff
2018-05-07 Cezary CzaplewskiHOMOL klapaucjusz correction tree | commitdiff
2018-04-25 Cezary CzaplewskiHOMOL wham/cluster new dihed constrain cos function tree | commitdiff
2018-04-24 Cezary Czaplewskireadpdb lside1 correction tree | commitdiff
2018-04-23 Cezary Czaplewskinew HOMOL energy wham & cluster tree | commitdiff
2018-04-05 Cezary CzaplewskiENDMDL cluster_wham/src tree | commitdiff
2018-03-26 Cezary CzaplewskiREAD_HOMOL_FRAG cluster_wham tree | commitdiff
2018-03-22 Cezary Czaplewskiwham cluster ignores missing dat file for wdfab=0 tree | commitdiff
2018-01-31 Cezary Czaplewskimultichain geomout corrected tree | commitdiff
2018-01-27 Cezary Czaplewskicluster wham SACS cutoff tree | commitdiff
2017-12-21 Cezary Czaplewskisaxs SCAL_RAD input parameter tree | commitdiff
2017-12-19 Cezary Czaplewskictest wham & cluster src-M tree | commitdiff
2017-12-17 Cezary Czaplewskisaxs and adam's corrections to multichain tree | commitdiff
2017-09-29 Cezary Czaplewskipgf90 common cleaning tree | commitdiff
2017-09-29 Cezary Czaplewskicmake pgf90 tree | commitdiff
2017-09-26 Cezary Czaplewskirm uscdiff tree | commitdiff
2017-09-26 Cezary Czaplewskigfortran errors tree | commitdiff
2017-09-26 Cezary Czaplewskigfortran error tree | commitdiff
2017-09-26 Cezary Czaplewskigfortran wham and cluster -mcmodel=medium tree | commitdiff
2017-09-25 Cezary Czaplewskidimensions tree | commitdiff
2017-08-12 Cezary Czaplewskimultichain cleaning output tree | commitdiff
2017-08-12 Cezary Czaplewskimultichain cluster can select number of clusters instea... tree | commitdiff
2017-03-02 Cezary Czaplewskictest wham cluster tree | commitdiff
2017-02-27 Cezary Czaplewskictest corrections tree | commitdiff
2017-02-24 Cezary Czaplewskicluster wham src-M corrections to match unres energy tree | commitdiff
2016-09-14 Cezary Czaplewskiincrease to 20 max nset waga_homology(20) tree | commitdiff
2016-08-24 Cezary CzaplewskiLorentzian restraints on distances in cluster_wham tree | commitdiff
2016-07-04 Cezary Czaplewskimultichain maxres=1000 tree | commitdiff
2016-06-19 Cezary Czaplewskicorrection for idihconstr_end_homo, no differ in wham now tree | commitdiff
2016-06-14 Cezary Czaplewskimultichain wham and cluster_wham use readpdb_template tree | commitdiff
2016-06-11 Cezary Czaplewskicorrection to the last commit - cleaning of homo restraints tree | commitdiff
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
2016-05-19 Cezary Czaplewskicorrection of dihedral homology restraints phi(i+3) tree | commitdiff
2016-05-12 Cezary Czaplewskithe first working version of multichain homology 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
2016-04-28 Cezary Czaplewskictest for src-M are off 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
2015-09-30 Cezary Czaplewskicmake is working for cluster_unres tree | commitdiff
2015-09-30 Adam LiwoAdded main_clust.F tree | commitdiff
2015-09-15 Adam LiwoAdded newly created cluster exe and makefile tree | commitdiff
2015-08-11 Adam LiwoMinor change in unres-cluster DIMENSIONS tree | commitdiff
2015-08-11 Adam LiwoCluster/unres modified to read MD coordinates in CX... 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
2015-01-19 Adam Sieradzandzialajacy wham+poprawka w funckji energi+ poprawka... 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
2014-12-11 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
2012-12-19 Dawid Jagielapoprawki w COMMONAch tree | commitdiff
2012-11-23 Dawid Jagielagfortran fixes in local_move.f, energy_p_new.F & initia... tree | commitdiff
2012-11-23 Dawid Jagielasome gfortran warning fixes tree | commitdiff
2012-11-23 Dawid Jagielaforce legacy standard for gfortran tree | commitdiff
2012-10-31 Dawid Jagielafix tcpu function in cluster/wham 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
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UNRESPACK 3.x