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cmake src_CSA default -std=legacy
[unres.git] / source / wham /
2020-05-15 Cezary Czaplewskisrc-M max_template=50 tree | commitdiff
2019-10-18 Cezary Czaplewskidist1cut wham & cluster tree | commitdiff
2019-04-02 Cezary Czaplewskiwham gfortran single chain corrections tree | commitdiff
2019-04-02 Cezary Czaplewskiwham thermal gfortran end of line $ tree | commitdiff
2018-07-25 Cezary Czaplewskibox shift in wham from Adam tree | commitdiff
2018-07-20 Cezary Czaplewskino stop after Bad Cartesians in wham 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 Czaplewskiwham correction of last commits tree | commitdiff
2018-06-22 Cezary Czaplewskiwham no energy_dec tree | commitdiff
2018-06-22 Cezary Czaplewskiwham 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
2018-05-15 Cezary Czaplewskigfortran error for wham_m 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
2018-04-23 Cezary Czaplewskinew HOMOL energy wham & cluster tree | commitdiff
2018-03-26 Cezary CzaplewskiREAD_HOMOL_FRAG wham tree | commitdiff
2018-03-22 Cezary Czaplewskiwham cluster ignores missing dat file for wdfab=0 tree | commitdiff
2018-03-21 Cezary CzaplewskiPARAM iter1_7p single chain tree | commitdiff
2018-02-02 Cezary Czaplewskiwham maxsym=10 tree | commitdiff
2018-01-27 Cezary Czaplewskiwham SAXS 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
2017-09-27 Cezary Czaplewskirm uscdiff tree | commitdiff
2017-09-26 Cezary Czaplewskicmake config typo 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
2017-03-02 Cezary Czaplewskictest wham cluster tree | commitdiff
2017-02-24 Cezary Czaplewskiwham src-M corrections to match unres energy tree | commitdiff
2016-09-13 Cezary CzaplewskiHOMOL_NSET in wham input keyword correction tree | commitdiff
2016-08-24 Cezary CzaplewskiLorentzian restraints on distances in wham tree | commitdiff
2016-07-04 Cezary Czaplewskimultichain maxres=1000 tree | commitdiff
2016-06-26 Cezary Czaplewskiwham also in single chain ignores conf. energies>10E6 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
2016-05-25 Cezary Czaplewskiintel compiler option correction for wham/src-M tree | commitdiff
2016-05-19 Cezary Czaplewskicorrection of dihedral homology restraints phi(i+3) tree | commitdiff
2016-05-12 Cezary CzaplewskiMaxT_h=36 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 Czaplewskiwham corrections 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
2016-03-16 Cezary CzaplewskiAdam's corrections to wham 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 Czaplewskisome corrections to previous commit from nostromo tree | commitdiff
2016-02-25 Cezary CzaplewskiAdam's changes from nostromo to wham with homology tree | commitdiff
2016-01-28 Cezary Czaplewskicompilation of large wham with -mcmodel=medium -shared... tree | commitdiff
2016-01-28 Cezary Czaplewskicleaning (links and backup files) tree | commitdiff
2016-01-28 Cezary Czaplewski all CMakeLists.txt updated with corrected names and... tree | commitdiff
2016-01-28 Cezary Czaplewskicorrection - adding ehomology_constr tree | commitdiff
2015-07-17 Adam LiwoAdded Makefiles tree | commitdiff
2015-06-28 Adam LiwoFixes to compile WHAM and CLUSTER on AIX (nostromo... tree | commitdiff
2015-06-12 Adam LiwoFixed the homology gradient in finegrain mode 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
2015-05-28 Adam LiwoFixed main module of WHAM tree | commitdiff
2015-05-14 Adam LiwoFixed the following components: tree | commitdiff
2015-05-13 Adam LiwoFixed a MAJOR error in WHAM; energies were computed... 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
2015-01-22 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
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