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unres.git
2020-03-14
Cezary Czaplewski
rm exe
multichain
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2015-09-29
Adam Sieradzan
ESSENTIAL CHANGE - BUG FIX in ENERGY to have old Correl...
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2015-09-29
Adam Sieradzan
wham in lipid still diff
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2015-09-09
Adam Sieradzan
changes in parameter file and debug off
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2015-09-09
Adam Sieradzan
new lipid potentials
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2015-08-06
Adam Sieradzan
Merge branch 'AFM' into multichain
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2015-08-06
Adam Sieradzan
intoduction of constant velocity for spring
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2015-07-31
Adam Sieradzan
First trial to introduce steered MD non successful
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2015-07-17
Adam Sieradzan
first attempt to indroduce AFM velocity
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2015-07-06
Adam Sieradzan
Merge branch 'multichain' of mmka:unres into multichain
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2015-06-30
rojas
Change in energy_p_new_barrier.F, in eelec, aorund...
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2015-06-26
Adam Sieradzan
Changes suggested by Ana
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2015-06-25
Adam Sieradzan
Merge branch 'lipid' into AFM
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2015-06-25
Adam Sieradzan
removal of double returnbox
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2015-06-25
Adam Sieradzan
Merge branch 'multichain' into lipid
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2015-06-23
Adam Sieradzan
small fix in lipids
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2015-05-06
Adam Sieradzan
correction in readpdb (bugfix)
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2015-04-23
Adam Sieradzan
zmiany w geomout dla AFM
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2015-04-17
Adam Sieradzan
Zaimplementowany AFM
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2015-04-09
Adam Sieradzan
poprawka w pametrach
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2015-03-25
Adam Sieradzan
important change for single processor for multi-chain
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2015-03-19
Adam Sieradzan
chyba dzialajacy lipid
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2015-03-18
Adam Sieradzan
Merge branch 'multichain' into lipid
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2015-03-18
Adam Sieradzan
correction of correlation potentials
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2015-03-18
Adam Sieradzan
poprawki w potencjalach
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2015-03-16
Adam Sieradzan
drobne poprawki
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2015-03-04
Adam Sieradzan
Merge branch 'multichain' of mmka:unres into lipid
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2015-03-04
Adam Sieradzan
correction in multichain
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2015-03-04
Adam Sieradzan
introduce lipid good grad wrong symplex
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2015-02-24
Adam Sieradzan
Merge branch 'master' into multichain
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2015-02-10
Adam Sieradzan
wprowadzenie lipidow
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2015-01-29
Adam Sieradzan
Introduction of lipid energy transfer
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2014-12-17
Adam Sieradzan
Merge branch 'master' of mmka:unres
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2014-12-17
Adam Sieradzan
zmiany w gitignore
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2014-12-17
Adam Sieradzan
Merge branch 'master' of mmka:unres into multichain
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2014-12-11
Adam Liwo
Minor change in documentation (installman)
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2014-12-11
Adam Liwo
Updated changelog, added minimization-only version...
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2014-12-11
Adam Liwo
Created binaries and fixed bugs when compiling single...
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2014-12-07
Dawid Jagieła
removed CSA_DiL sources from CMake
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2014-12-05
Cezary Czaplewski
correction to 4P energy and csa examples
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2014-12-05
Cezary Czaplewski
corrected example CSA run with 4P
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2014-12-05
Cezary Czaplewski
new options for mpich2 with gfortran Makefile
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2014-12-05
Cezary Czaplewski
src_CSA_DiL removed from prerelease, current version...
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2014-12-04
Adam Liwo
Added the change docs by Adam
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2014-12-04
Adam Liwo
Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
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2014-12-04
Adam Liwo
Yet more changes in the documentation ( by Adam)
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2014-12-04
Adam Liwo
Revised documentation by Adam
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2014-11-28
Dawid Jagiela
changed FF preprocesor flags in src_CSA_DiL/CMakeLists.txt
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2014-11-28
Dawid Jagiela
Merge branch 'prerelease-3.2.1' of mmka:unres into...
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2014-11-28
Adam Liwo
Updated INSTALL
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2014-11-28
Adam Liwo
Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
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2014-11-28
Dawid Jagiela
fixed FF preprocesor flags for src_CSA/CMakeLists.txt
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2014-11-28
Adam Liwo
Updated INSTALL
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2014-11-28
Dawid Jagiela
changed csa.f to csa.F in src_CSA/CMakeLists.txt sources
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2014-11-28
Adam Liwo
Trying to bring files - continued
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2014-11-28
Adam Liwo
Trying to bring the csa.F file to the repository.
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2014-11-27
Adam Liwo
Additional fix of xdrfpdb binaries (creation of bin...
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2014-11-27
Adam Liwo
Fixed Makefiles, handle all force fields thru appropria...
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2014-11-05
Dawid Jagiela
Merge branch 'prerelease-3.2.1' of mmka:unres into...
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2014-11-05
Dawid Jagiela
ctest ala10 binary location fix
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2014-11-05
Dawid Jagieła
Added CMake build instructions
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2014-10-31
Dawid Jagiela
fix for multiple MPI include paths passed by MPI wrapper
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2014-10-27
Dawid Jagiela
1) binaries are compiled into /bin subdirectory of...
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2014-10-26
Dawid Jagiela
1) Threading cleanup in src_CSA & src_CSA_DiL
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2014-10-26
Dawid Jagiela
switched to CMake FindMPI module in all source files...
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2014-10-26
Dawid Jagiela
added missing preprocessor flags for prng_32.F
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2014-10-25
Dawid Jagiela
prng.f unification
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2014-10-23
Adam Sieradzan
Merge branch 'multichain' of mmka:unres into multichain
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2014-10-23
Adam Sieradzan
poprawka w stochasticfric
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2014-10-16
Dawid Jagiela
64-bit fix for unres/CSA and unres/CSA_DiL code
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2014-10-14
Dawid Jagieła
Merge branch 'prerelease-3.2.1' of mmka:unres into...
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2014-10-14
Dawid Jagieła
fixed CMake variable typo
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2014-10-08
Cezary Czaplewski
correct default option for compilers in cluster CmakeLi...
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2014-10-08
Cezary Czaplewski
correct default option for compilers in wham CmakeList.txt
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2014-09-11
Adam Kazimierz...
poprawka w triss
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2014-09-10
Adam Sieradzan
correction of xdrf2pdb
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2014-07-24
Adam Kazimierz...
After long DEBUG of energy function
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2014-07-22
Adam Sieradzan
correction in MD returnbox
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2014-06-24
Adam Sieradzan
bug fix for langevin dynamics
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2014-06-17
Adam Kazimierz...
doadany sccor_am1 do PBC (needs veryfy)
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2014-06-12
Adam Sieradzan
compiling cluster before tests
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2014-06-10
Adam Sieradzan
Introduction of PBC to cluster energy and reading,...
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2014-06-10
Adam Sieradzan
Bug fix for reading single residue from pdb
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2014-05-25
Adam Sieradzan
zmiany w multichainie
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2014-05-25
Adam Kazimierz...
zmiany, wylaczenie diagnostyki, dzialajacy WHAM
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2014-05-21
Adam Kazimierz...
diagnoza dlaczego WHAM nie dziala
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2014-05-15
Adam Kazimierz...
zmiany w WHAM PBC przed sprawdzeniem differow
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2014-05-13
Adam Sieradzan
Wylacznie timiningu i sprawdzenie gradientu
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2014-05-12
Adam Sieradzan
po przyspieszeniu przed checkgradem i sympcheckiem
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2014-05-08
Adam Sieradzan
Adjusted energy file (small improvement)
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2014-05-01
Adam Sieradzan
polepszenie wydajnosci algorytmu PBC
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2014-04-25
Dawid Jagiela
1) added warnings suppression if find_package(MPI)...
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2014-03-04
Adam Sieradzan
ignorowanie build theta
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2014-03-03
Adam Sieradzan
poprawka w refsysie
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2014-02-24
Adam Sieradzan
Working gradient for PBC
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2014-02-20
Adam Sieradzan
Drobne zmiany i dodanei parametrow dla dummy atom
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2014-02-17
Adam Sieradzan
The wrong one gradient compontent...
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2014-02-08
Adam Sieradzan
zmiany w galezi multichain
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2014-01-29
Adam Sieradzan
DO zmiany czytanie pisanie i cutoff
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2013-11-20
Pawel Krupa
Poprawione przyklady w polu ff_gab (zmieniony potencjal...
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