projects / unres.git / history
? search:
summary | shortlog | log | commit | commitdiff | tree
first ⋅ prev ⋅ next
cmake src_CSA default -std=legacy
[unres.git] / source / unres / src_MD /
2020-09-06 Cezary Czaplewskiexternal random_init necessary for gfortran 9.3 tree | commitdiff
2019-04-02 Cezary Czaplewskidissulfides energy and gfortran ctests tree | commitdiff
2018-06-22 Cezary Czaplewskiread_cart correction tree | commitdiff
2018-06-22 Cezary CzaplewskiAdam's new constr_dist single chain tree | commitdiff
2018-05-25 Cezary Czaplewskimax_template=50 tree | commitdiff
2018-05-22 Cezary Czaplewskisc_move slower total energy that works for FGPROCS>1 tree | commitdiff
2018-05-21 Cezary Czaplewskioverlap only master FGPROCS>1 tree | commitdiff
2018-05-16 Cezary Czaplewskienergy_dec src_MD tree | commitdiff
2018-05-07 Cezary CzaplewskiHOMOL klapaucjusz correction tree | commitdiff
2018-04-24 Cezary CzaplewskiHOMOL new dihed constrain cos function tree | commitdiff
2018-04-20 Cezary Czaplewskinew HOMOL energy tree | commitdiff
2018-04-17 Cezary Czaplewskirescore=0.2 rescore2=1.0 mdpdb append tree | commitdiff
2018-03-26 Cezary CzaplewskiREAD_HOMOL_FRAG tree | commitdiff
2018-03-22 Cezary Czaplewskiparallel DFA_D DFA_T DFA_N tree | commitdiff
2018-03-21 Cezary Czaplewskidfa prints correct error missing files tree | commitdiff
2017-09-29 Cezary Czaplewskicmake pgf90 tree | commitdiff
2017-09-26 Cezary Czaplewskiimax0 not in gfortran tree | commitdiff
2017-08-12 Cezary Czaplewskimultichain cleaning output tree | commitdiff
2017-03-21 Cezary Czaplewskicompiler directive UNROLL(0) in eturn3 tree | commitdiff
2017-03-10 Cezary Czaplewskicorrect gradient on cray okeanos tree | commitdiff
2017-02-28 Cezary Czaplewskictest dfa and homology tree | commitdiff
2017-02-27 Cezary Czaplewskictest checkgrad added tree | commitdiff
2017-02-27 Cezary Czaplewski checkgrad after minim with return code <> 4 tree | commitdiff
2017-02-23 Cezary Czaplewskicheckgrad_inc added to input for checkgrad cart tree | commitdiff
2017-02-23 Cezary Czaplewskihomology dihederal i-3 gradient correction src_MD tree | commitdiff
2017-02-22 Cezary Czaplewskicorrections to numerical and sccor analytical gradient tree | commitdiff
2016-08-23 Cezary CzaplewskiLorenz restraints on distances tree | commitdiff
2016-06-19 Cezary Czaplewskicorrection for idihconstr_end_homo, no differ in wham now 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
2016-04-29 Cezary CzaplewskiDIST2_CUT correction tree | commitdiff
2016-04-29 Cezary Czaplewskinext correction to last commit with DIST2_CUT tree | commitdiff
2016-04-29 Cezary Czaplewskicorrection to last commit with DIST2_CUT tree | commitdiff
2016-04-29 Cezary CzaplewskiDIST2_CUT introduced for homology to remove restraints tree | commitdiff
2016-04-29 Cezary Czaplewskictest -DUNRES_MPIRUN=1 for tryton tree | commitdiff
2016-04-29 Cezary Czaplewskisigma read from *.sco without 0.5d0*(rescore_tmp+0... tree | commitdiff
2016-04-28 Cezary Czaplewskimremd with homology constrains can start each replica... tree | commitdiff
2016-04-27 Cezary Czaplewskiunres_pdb last dummy residue corrected as in prerelease tree | commitdiff
2016-04-27 Cezary Czaplewskictest copied from prerelease tree | commitdiff
2016-04-22 Cezary Czaplewskicmake -DUNRES_DFA to switch on DFA in unres tree | commitdiff
2016-04-12 Cezary Czaplewskifirst and last GLY in seq gives correct energy in unres... tree | commitdiff
2016-03-04 Cezary CzaplewskiAdam's changes to avoid wrong XG.. or ..GX sequence... tree | commitdiff
2016-03-03 Cezary Czaplewskicorrections to changes form nostromo tree | commitdiff
2016-03-03 Cezary Czaplewskichanges from nostromo tree | commitdiff
2016-02-17 Cezary Czaplewskicorrection for homol_nset>1 and waga_homology(iset... 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
2015-11-30 Cezary Czaplewskitimlim function ovrtim only on master and MPI_Bcast tree | commitdiff
2015-10-27 Cezary CzaplewskiENERGY_DEC printout works for ESTR tree | commitdiff
2015-10-26 Cezary CzaplewskiENERGY_DEC printout works for ebend in E0LL2Y forcefield tree | commitdiff
2015-10-08 Cezary Czaplewskienergy_dec works with etors_d tree | commitdiff
2015-09-30 Cezary CzaplewskiMerge branch 'homology' of mmka.chem.univ.gda.pl:unres... tree | commitdiff
2015-09-30 Cezary Czaplewskicutoff for dfa beta formation to speed up calculations tree | commitdiff
2015-08-01 Cezary Czaplewskiread2sigma - now without this option code works as... tree | commitdiff
2015-07-31 Cezary Czaplewskirestoring read2sigma code after wrong merge tree | commitdiff
2015-07-31 Cezary CzaplewskiMerge branch 'homology' of mmka.chem.univ.gda.pl:unres... tree | commitdiff
2015-07-31 Cezary Czaplewskinew format of read2sigma *sco files (res number in... tree | commitdiff
2015-07-31 Adam LiwoMerge branch 'homology' of mmka.chem.univ.gda.pl:unres... tree | commitdiff
2015-07-31 Adam LiwoBy AL: fixed FGPROCS>1 problem in HMREMD; iset passed... tree | commitdiff
2015-07-28 Cezary Czaplewskibugfix for read2sigma with different domain definition... tree | commitdiff
2015-07-21 Cezary CzaplewskiMerge branch 'homology' of mmka.chem.univ.gda.pl:unres... tree | commitdiff
2015-07-21 Cezary Czaplewski read2sigma supports separate domain definition in... tree | commitdiff
2015-07-17 Adam LiwoMerge branch 'homology' of mmka.chem.univ.gda.pl:unres... tree | commitdiff
2015-07-17 Adam LiwoAdded Makefiles tree | commitdiff
2015-07-17 Cezary Czaplewski the first version of READ2SIGMA - the same domains... tree | commitdiff
2015-06-28 Adam LiwoFixes to compile WHAM and CLUSTER on AIX (nostromo... tree | commitdiff
2015-06-17 Adam LiwoAdded ifdefs to include/exlucde DFA becuase of the... 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
2015-05-14 Adam LiwoFixed the following components: tree | commitdiff
2015-05-06 Cezary Czaplewskiminimization in int works with FGPROCS>1 tree | commitdiff
2015-04-16 Felipe PinedaMerge branch 'homology' of mmka.chem.univ.gda.pl:unres... tree | commitdiff
2015-04-16 Felipe PinedaWHAM and CLUSTER with HM restraints by AL and FP tree | commitdiff
2015-03-17 Cezary Czaplewskiremd with homol_nset>1 working with FG parallelization tree | commitdiff
2015-03-13 Cezary Czaplewskichanges to avoid PMPI_Scatterv: Invalid buffer pointer... tree | commitdiff
2015-03-06 Felipe PinedaLorentzian-type distance restraint energy implemented tree | commitdiff
2015-03-04 Felipe Pinedacommon.control cleaning tree | commitdiff
2015-03-04 Felipe PinedaMerge branch 'homology' of mmka.chem.univ.gda.pl:unres... tree | commitdiff
2015-03-04 Felipe PinedaAfter final fix by AL tree | commitdiff
2015-03-03 Cezary CzaplewskiREMD with HOMOL_NSET>1 and single weight for all homolo... tree | commitdiff
2015-02-25 Felipe PinedaMerge branch 'homology' of mmka.chem.univ.gda.pl:unres... tree | commitdiff
2015-02-25 Felipe PinedaMerge branch 'master' of mmka.chem.univ.gda.pl:unres... tree | commitdiff
2015-02-25 Cezary Czaplewskirespa now working without dfa weights tree | commitdiff
2015-02-20 Felipe PinedaMerge branch 'homology' of mmka.chem.univ.gda.pl:unres... tree | commitdiff
2015-02-19 Adam SieradzanEBE change in prerealese-3.2.1 make dummy atom idependent tree | commitdiff
2015-02-16 Adam Sieradzanpoprawka w src_MD tree | commitdiff
2015-02-16 Adam SieradzanPoprawiony src_MD-M gradient tree | commitdiff
2015-02-12 Felipe Pineda1st running version of UNRES HM by FP and AL tree | commitdiff
2015-02-11 Adam Sieradzanintro of SCCOR into src_MIN tree | commitdiff
2015-01-08 Cezary Czaplewskidfa.F was missing form cmake configurations files tree | commitdiff
2015-01-05 Adam LiwoMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda... tree | commitdiff
2015-01-05 Adam LiwoMREMD corrected; Langevin mode (bcast instead of scatte... tree | commitdiff
2014-12-30 Adam Sieradzanwprowadzenie do multichaina SCcorr tree | commitdiff
2014-12-18 Adam Kazimierz Sie... Wprowadzenie SCCOR dla wham-M tree | commitdiff
2014-12-17 Adam Kazimierz Sie... Wprowadznie potencjalow SC-COR do multichain oraz ich... tree | commitdiff
2014-12-11 Adam LiwoCreated binaries and fixed bugs when compiling single... tree | commitdiff
2014-11-28 Cezary Czaplewskitesting 2D replica exchange with FPROCS>1 tree | commitdiff
2014-11-28 Adam LiwoTrying to bring files - continued tree | commitdiff
next
UNRESPACK 3.x