ctest ref files and values
[unres.git] / source / unres /
2020-04-11 Cezary Czaplewskireadpdb correction
2020-04-09 Cezary Czaplewskireadpdb-mult and other Adam's corrections
2020-04-05 Cezary Czaplewskiunres readpdb-mult
2020-04-04 Cezary Czaplewskireadpdb & fort.2 from unres
2020-04-01 Cezary Czaplewskipdbread & boxshift
2020-03-30 Cezary Czaplewskisrc-HCD-5D with no 5D
2020-03-28 Cezary CzaplewskiAdam's corrections
2020-03-27 Cezary CzaplewskiAdam's 5D respa
2020-03-26 Cezary Czaplewskiupdate HCD-5D
2020-03-24 Cezary Czaplewski5D update
2020-03-24 Cezary Czaplewskisrc-HCD-5D update
2020-03-24 Cezary Czaplewskimake cp src-HCD-5D
2020-03-24 Cezary Czaplewskicopy src_MD-M-SAXS-homology src-HCD-5D
2020-03-22 Cezary Czaplewskicmake ftn okeanos cray XC40 correction
2020-03-22 Cezary Czaplewskicmake ftn okeanos cray XC40
2020-03-22 Cezary Czaplewskictest dfa newcorr dell15
2020-03-22 Cezary Czaplewskictest dfa newcorr
2020-03-22 Cezary Czaplewskictest newcorr & dfa
2020-03-22 Cezary Czaplewskictest dfa
2020-03-20 Cezary Czaplewskictest NEWCORR
2020-03-20 Cezary Czaplewskictest csa - commented
2020-03-20 Cezary Czaplewskictest dock wham and old source rm
2020-03-19 Cezary Czaplewskicmake NEWCORR
2020-03-19 Cezary Czaplewskirm JESTEM printout
2020-03-19 Cezary Czaplewskictest UNRES_M_MD_microcanonical
2020-03-19 Cezary Czaplewskictest plot UNRES_M_MD_microcanonical
2020-03-18 Cezary Czaplewskienergy_dec print_compon
2020-03-16 Cezary Czaplewskigfortran geomout.F:(.text+0x48df): relocation truncated...
2020-03-15 Cezary Czaplewskigfortran geomout.F:(.text+0x48df): relocation truncated...
2020-03-15 Cezary Czaplewskiisnan logical isnan(potEcomp(0)).gt.0
2020-03-15 Cezary Czaplewskictest csa grep -v GenSide
2020-03-15 Cezary Czaplewskictest csa
2020-03-15 Cezary Czaplewskictest unres
2020-03-14 Cezary Czaplewskicleaning and csa update
2015-10-26 Pawel KrupaOptimization of the solution for the disulfide problem.
2015-10-21 Adam Sieradzantrial for X-Cys-Cys-X sequences
2015-10-21 Adam Sieradzanwham debug off and bug fix for dtriss =0
2015-09-22 Adam Sieradzandebug in respa
2015-08-03 Adam Sieradzan1) debug of Lorentzian like constrains in cluster 2...
2015-08-02 Adam Sieradzanfirst introduction of valence constrains - not working yet
2015-07-31 Adam Sieradzanintroduction of different ftors for each site
2015-07-28 Adam SieradzanIntoduction Lorentizan like restrains to cluster
2015-07-21 Adam SieradzanWHAM for Lorentzian like constrains fixed - DEBUG OFF
2015-07-06 Adam Sieradzanintoduction of quartic restrains in multichain, bugfix...
2015-07-03 Adam SieradzanWeFold Lorentzian like potentials introduction
2015-06-24 Dawid Jagielaremoved uninitialized ghalf from equation
2015-05-26 Dawid Jagielaremoved obsolite code in ssMD.F files
2015-05-25 Adam SieradzanTRISS debug
2015-05-25 Adam SieradzanWarnig Debug ON
2015-05-24 Adam SieradzanCorrected WHAM and UNRES reading in SS dyn...
2015-05-22 Pawel KrupaMerge branch 'devel' of mmka.chem.univ.gda.pl:unres...
2015-05-22 Pawel KrupaFixed bug in reading trisulfide potentials (atriss...
2015-05-06 Dawid Jagielafixed install binary paths
2015-04-21 Pawel KrupaMPICH2 and energy fixes in WHAM-M and Cluster-M.
2015-04-17 Adam Sieradzanpoprawka w COMMON.SBRIDE dla triss
2015-04-13 Adam Sieradzanpoprawka w intcartderiv
2015-04-13 Adam SieradzanIntroduction of SS to newcorr and SSS to src_MD-M
2015-03-26 Pawel KrupaMD problems fixed with FGPROC>1
2015-02-19 Adam Sieradzanpoprawki w ANG w src_MD-M
2015-01-29 Adam LiwoCorrected refsys.f in src_MD-M
2014-12-05 Cezary Czaplewskichanges from prerelease src_CSA_DiL copied to devel
2014-11-06 Dawid Jagielafixed src_MD_DFA ala10 ctest
2014-11-06 Dawid Jagiela1) changes for FindMPI macro in source/unres/src_MD_DFA
2014-11-05 Dawid Jagielafixed marge problem
2014-11-05 Dawid JagielaMerge branch 'prerelease-3.2.1' into devel
2014-11-05 Dawid Jagielactest ala10 binary location fix
2014-10-27 Dawid Jagiela1) binaries are compiled into /bin subdirectory of...
2014-10-26 Dawid Jagiela1) Threading cleanup in src_CSA & src_CSA_DiL
2014-10-26 Dawid Jagielaswitched to CMake FindMPI module in all source files...
2014-10-26 Dawid Jagielaswitched to CMake FindMPI module in all source files...
2014-10-26 Dawid Jagielaadded missing preprocessor flags for prng_32.F
2014-10-25 Dawid Jagielaprng.f unification
2014-10-16 Dawid Jagiela64-bit fix for unres/CSA and unres/CSA_DiL code
2014-10-14 Dawid Jagiełafixed CMake variable typo
2014-07-23 Dawid Jagielaadded "make install" support for: unres (MD, MD-M,...
2014-07-04 Adam Kazimierz Sie... BUG FIX for SUMSL minimization
2014-06-24 Adam SieradzanMerge branch 'devel' of mmka:unres into devel
2014-06-24 Adam Sieradzanbug fix for langevin dynamics
2014-06-24 Cezary CzaplewskiMakefile without debuging
2014-06-18 Cezary CzaplewskiMerge branch 'devel' of mmka:unres into devel
2014-06-18 Cezary Czaplewskidyn-ss in MD-M
2014-06-17 Adam Kazimierz Sie... dalej wylaczona diagnostyka
2014-06-17 Adam Kazimierz Sie... wylacznie diagnostyki
2014-06-17 Cezary Czaplewskicorrecter Makefile and errors side chain parameters
2014-06-03 Dawid Jagiełafixed typo
2014-06-03 Dawid Jagiełafix for MD tests in E0LL2Y FF
2014-06-03 Dawid Jagiełafixed binary name generation in unres/src_MD-M
2014-06-03 Dawid JagiełaMerge branch 'devel' of mmka:unres into devel
2014-06-03 Dawid Jagieławywalka smieci - ludzie budujcie w katalogu build!
2014-06-03 Bartlomiej ZaborowskiMerge branch 'devel' of mmka:unres into devel
2014-06-03 Bartlomiej ZaborowskiModification files required corresponding architecture
2014-06-03 Bartlomiej ZaborowskiModification files required corresponding architecture
2014-05-08 Adam Sieradzanwlaczenie timing
2014-05-08 Adam SieradzanMerge branch 'devel' of mmka:unres into devel
2014-04-10 Adam LiwoMerge branch 'devel' of mmka.chem.univ.gda.pl:unres...
2014-04-10 Adam LiwoAdded src_MD-M-newcorr (Adasko's source) and src-NEWSC...
2014-04-01 Adam LiwoAdded src_Eshel (decoy processing for threading)
2014-03-19 Adam LiwoFixed iatsc_s and iatscp_s for 1 residue (was 0 with...
2014-03-18 Adam SieradzanDevel ma zle COMMON.TORSIONAL w src_MD (single chain)
2013-11-06 Dawid Jagielajunk files cleanup
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