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Merge branch 'devel' into AFM
[unres.git]
/
source
/
2015-08-06
Adam Sieradzan
Merge branch 'devel' into AFM
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commitdiff
2015-08-06
Adam Sieradzan
first changes for shielding
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commitdiff
2015-08-06
Adam Sieradzan
Merge branch 'AFM' into multichain
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commitdiff
2015-08-06
Adam Sieradzan
intoduction of constant velocity for spring
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commitdiff
2015-08-03
Adam Sieradzan
1) debug of Lorentzian like constrains in cluster 2...
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commitdiff
2015-08-02
Adam Sieradzan
first introduction of valence constrains - not working yet
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commitdiff
2015-07-31
Adam Sieradzan
introduction of different ftors for each site
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commitdiff
2015-07-31
Adam Sieradzan
First trial to introduce steered MD non successful
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commitdiff
2015-07-28
Adam Sieradzan
Intoduction Lorentizan like restrains to cluster
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commitdiff
2015-07-21
Adam Sieradzan
WHAM for Lorentzian like constrains fixed - DEBUG OFF
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commitdiff
2015-07-20
Adam Sieradzan
debuging WHAM for constrains DEBUG ON
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commitdiff
2015-07-17
Adam Sieradzan
first attempt to indroduce AFM velocity
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commitdiff
2015-07-10
Adam Sieradzan
introduction of quartic an Lonrentz constrains to WHAM
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commitdiff
2015-07-06
Adam Sieradzan
Merge branch 'multichain' of mmka:unres into multichain
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commitdiff
2015-07-06
Adam Sieradzan
intoduction of quartic restrains in multichain, bugfix...
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commitdiff
2015-07-03
Adam Sieradzan
WeFold Lorentzian like potentials introduction
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commitdiff
2015-06-30
rojas
Change in energy_p_new_barrier.F, in eelec, aorund...
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commitdiff
2015-06-26
Adam Sieradzan
Changes suggested by Ana
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commitdiff
2015-06-25
Adam Sieradzan
Merge branch 'lipid' into AFM
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commitdiff
2015-06-25
Adam Sieradzan
removal of double returnbox
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commitdiff
2015-06-25
Adam Sieradzan
Merge branch 'multichain' into lipid
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commitdiff
2015-06-24
Dawid Jagiela
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2015-06-24
Dawid Jagiela
removed uninitialized ghalf from equation
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commitdiff
2015-06-23
Adam Sieradzan
small fix in lipids
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commitdiff
2015-05-27
Adam Sieradzan
working cluster for dyn_ss and triss
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commitdiff
2015-05-26
Adam Sieradzan
Debug cluster part 2
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commitdiff
2015-05-26
Adam Sieradzan
Cluster debug ON
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commitdiff
2015-05-26
Adam Sieradzan
havebond turnoff
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commitdiff
2015-05-26
Adam Sieradzan
correction of readrtns
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commitdiff
2015-05-26
Adam Sieradzan
Merge branch 'devel' of mmka:unres into devel
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commitdiff
2015-05-26
Adam Sieradzan
energy_dec to logical
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commitdiff
2015-05-26
Dawid Jagiela
removed obsolite code in ssMD.F files
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commitdiff
2015-05-26
Adam Sieradzan
Introduction of dyn_ss and triss to cluster
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commitdiff
2015-05-25
Adam Sieradzan
hidden part of debug
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commitdiff
2015-05-25
Adam Sieradzan
nss*ebr removed
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commitdiff
2015-05-25
Adam Sieradzan
cxread debug 7
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commitdiff
2015-05-25
Adam Sieradzan
debug part 6
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commitdiff
2015-05-25
Adam Sieradzan
Debug 5
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commitdiff
2015-05-25
Adam Sieradzan
another DEBUG
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commitdiff
2015-05-25
Adam Sieradzan
dubug dss part 3
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commitdiff
2015-05-25
Adam Sieradzan
diffrent name for evdw
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commitdiff
2015-05-25
Adam Sieradzan
TRISS debug
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commitdiff
2015-05-25
Adam Sieradzan
Warnig Debug ON
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commitdiff
2015-05-24
Adam Sieradzan
Corrected WHAM and UNRES reading in SS dyn...
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commitdiff
2015-05-23
Adam Sieradzan
Introduction of working dyn_ss and triss. Problems...
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commitdiff
2015-05-23
Adam Sieradzan
Correction in readrtns
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commitdiff
2015-05-23
Adam Sieradzan
Change in line of dyn_ss
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commitdiff
2015-05-22
Adam Sieradzan
Merge branch 'devel' of mmka:unres into devel
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commitdiff
2015-05-22
Adam Sieradzan
Adding dyn_ss and triss potentials to src-M wham
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commitdiff
2015-05-22
Pawel Krupa
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2015-05-22
Pawel Krupa
Fixed bug in reading trisulfide potentials (atriss...
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commitdiff
2015-05-06
Dawid Jagiela
fixed install binary paths
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commitdiff
2015-05-06
Adam Sieradzan
correction in readpdb (bugfix)
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commitdiff
2015-04-23
Adam Sieradzan
zmiany w geomout dla AFM
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commitdiff
2015-04-21
Pawel Krupa
MPICH2 and energy fixes in WHAM-M and Cluster-M.
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commitdiff
2015-04-17
Adam Sieradzan
Merge branch 'devel' of mmka:unres into devel
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commitdiff
2015-04-17
Pawel Krupa
Fixed error caused by new MPICH2, which made WHAM-M...
tree
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commitdiff
2015-04-17
Adam Sieradzan
poprawka w COMMON.SBRIDE dla triss
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commitdiff
2015-04-17
Adam Sieradzan
Zaimplementowany AFM
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commitdiff
2015-04-16
Pawel Krupa
Fixed energy differs in WHAM-M (EBE).
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commitdiff
2015-04-13
Adam Sieradzan
poprawka w intcartderiv
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commitdiff
2015-04-13
Adam Sieradzan
Introduction of SS to newcorr and SSS to src_MD-M
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commitdiff
2015-04-09
Adam Sieradzan
poprawka w pametrach
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commitdiff
2015-04-05
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2015-04-05
Dawid Jagiela
added Force-Fields descriptions in exe filenames
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commitdiff
2015-03-26
Pawel Krupa
MD problems fixed with FGPROC>1
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commitdiff
2015-03-25
Adam Sieradzan
important change for single processor for multi-chain
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commitdiff
2015-03-19
Adam Sieradzan
chyba dzialajacy lipid
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commitdiff
2015-03-18
Adam Sieradzan
Merge branch 'multichain' into lipid
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commitdiff
2015-03-18
Adam Sieradzan
correction of correlation potentials
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commitdiff
2015-03-18
Adam Sieradzan
poprawki w potencjalach
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commitdiff
2015-03-16
Adam Sieradzan
drobne poprawki
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commitdiff
2015-03-04
Adam Sieradzan
Merge branch 'multichain' of mmka:unres into lipid
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commitdiff
2015-03-04
Adam Sieradzan
correction in multichain
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commitdiff
2015-03-04
Adam Sieradzan
introduce lipid good grad wrong symplex
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commitdiff
2015-02-24
Adam Sieradzan
Merge branch 'master' into multichain
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commitdiff
2015-02-19
Adam Sieradzan
poprawki w ANG w src_MD-M
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commitdiff
2015-02-10
Adam Sieradzan
wprowadzenie lipidow
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commitdiff
2015-01-29
Adam Liwo
Corrected refsys.f in src_MD-M
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commitdiff
2015-01-29
Adam Sieradzan
Introduction of lipid energy transfer
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commitdiff
2014-12-17
Adam Sieradzan
Merge branch 'master' of mmka:unres
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commitdiff
2014-12-17
Adam Sieradzan
Merge branch 'master' of mmka:unres into multichain
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commitdiff
2014-12-11
Adam Liwo
Updated changelog, added minimization-only version...
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commitdiff
2014-12-11
Adam Liwo
Created binaries and fixed bugs when compiling single...
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commitdiff
2014-12-05
Cezary Czaplewski
new options for mpich2 with gfortran Makefile
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commitdiff
2014-12-05
Cezary Czaplewski
src_CSA_DiL removed from prerelease, current version...
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commitdiff
2014-12-05
Cezary Czaplewski
changes from prerelease src_CSA_DiL copied to devel
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commitdiff
2014-11-28
Dawid Jagiela
changed FF preprocesor flags in src_CSA_DiL/CMakeLists.txt
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commitdiff
2014-11-28
Dawid Jagiela
fixed FF preprocesor flags for src_CSA/CMakeLists.txt
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commitdiff
2014-11-28
Dawid Jagiela
changed csa.f to csa.F in src_CSA/CMakeLists.txt sources
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commitdiff
2014-11-28
Adam Liwo
Trying to bring files - continued
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commitdiff
2014-11-27
Adam Liwo
Fixed Makefiles, handle all force fields thru appropria...
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commitdiff
2014-11-06
Dawid Jagiela
fixed src_MD_DFA ala10 ctest
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commitdiff
2014-11-06
Dawid Jagiela
1) changes for FindMPI macro in source/unres/src_MD_DFA
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commitdiff
2014-11-05
Dawid Jagiela
fixed marge problem
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commitdiff
2014-11-05
Dawid Jagiela
Merge branch 'prerelease-3.2.1' into devel
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commitdiff
2014-11-05
Dawid Jagiela
ctest ala10 binary location fix
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commitdiff
2014-10-27
Dawid Jagiela
1) binaries are compiled into /bin subdirectory of...
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commitdiff
2014-10-26
Dawid Jagiela
1) Threading cleanup in src_CSA & src_CSA_DiL
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commitdiff
2014-10-26
Dawid Jagiela
switched to CMake FindMPI module in all source files...
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