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correction in multichain
[unres.git]
/
source
/
unres
/
2015-03-04
Adam Sieradzan
correction in multichain
tree
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commitdiff
2015-02-24
Adam Sieradzan
Merge branch 'master' into multichain
tree
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commitdiff
2014-12-17
Adam Sieradzan
Merge branch 'master' of mmka:unres
tree
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commitdiff
2014-12-17
Adam Sieradzan
Merge branch 'master' of mmka:unres into multichain
tree
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commitdiff
2014-12-11
Adam Liwo
Updated changelog, added minimization-only version...
tree
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commitdiff
2014-12-11
Adam Liwo
Created binaries and fixed bugs when compiling single...
tree
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commitdiff
2014-12-05
Cezary Czaplewski
new options for mpich2 with gfortran Makefile
tree
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commitdiff
2014-12-05
Cezary Czaplewski
src_CSA_DiL removed from prerelease, current version...
tree
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commitdiff
2014-11-28
Dawid Jagiela
changed FF preprocesor flags in src_CSA_DiL/CMakeLists.txt
tree
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commitdiff
2014-11-28
Dawid Jagiela
fixed FF preprocesor flags for src_CSA/CMakeLists.txt
tree
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commitdiff
2014-11-28
Dawid Jagiela
changed csa.f to csa.F in src_CSA/CMakeLists.txt sources
tree
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commitdiff
2014-11-28
Adam Liwo
Trying to bring files - continued
tree
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commitdiff
2014-11-27
Adam Liwo
Fixed Makefiles, handle all force fields thru appropria...
tree
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commitdiff
2014-11-05
Dawid Jagiela
ctest ala10 binary location fix
tree
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commitdiff
2014-10-27
Dawid Jagiela
1) binaries are compiled into /bin subdirectory of...
tree
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commitdiff
2014-10-26
Dawid Jagiela
1) Threading cleanup in src_CSA & src_CSA_DiL
tree
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commitdiff
2014-10-26
Dawid Jagiela
switched to CMake FindMPI module in all source files...
tree
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commitdiff
2014-10-26
Dawid Jagiela
added missing preprocessor flags for prng_32.F
tree
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commitdiff
2014-10-25
Dawid Jagiela
prng.f unification
tree
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commitdiff
2014-10-23
Adam Sieradzan
Merge branch 'multichain' of mmka:unres into multichain
tree
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commitdiff
2014-10-23
Adam Sieradzan
poprawka w stochasticfric
tree
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commitdiff
2014-10-16
Dawid Jagiela
64-bit fix for unres/CSA and unres/CSA_DiL code
tree
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commitdiff
2014-10-14
Dawid Jagieła
fixed CMake variable typo
tree
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commitdiff
2014-09-11
Adam Kazimierz Sie...
poprawka w triss
tree
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commitdiff
2014-07-24
Adam Kazimierz Sie...
After long DEBUG of energy function
tree
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commitdiff
2014-07-22
Adam Sieradzan
correction in MD returnbox
tree
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commitdiff
2014-06-24
Adam Sieradzan
bug fix for langevin dynamics
tree
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commitdiff
2014-06-10
Adam Sieradzan
Bug fix for reading single residue from pdb
tree
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commitdiff
2014-05-25
Adam Sieradzan
zmiany w multichainie
tree
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commitdiff
2014-05-25
Adam Kazimierz Sie...
zmiany, wylaczenie diagnostyki, dzialajacy WHAM
tree
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commitdiff
2014-05-21
Adam Kazimierz Sie...
diagnoza dlaczego WHAM nie dziala
tree
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commitdiff
2014-05-13
Adam Sieradzan
Wylacznie timiningu i sprawdzenie gradientu
tree
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commitdiff
2014-05-12
Adam Sieradzan
po przyspieszeniu przed checkgradem i sympcheckiem
tree
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commitdiff
2014-05-08
Adam Sieradzan
Adjusted energy file (small improvement)
tree
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commitdiff
2014-05-01
Adam Sieradzan
polepszenie wydajnosci algorytmu PBC
tree
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commitdiff
2014-03-03
Adam Sieradzan
poprawka w refsysie
tree
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commitdiff
2014-02-24
Adam Sieradzan
Working gradient for PBC
tree
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commitdiff
2014-02-17
Adam Sieradzan
The wrong one gradient compontent...
tree
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commitdiff
2014-02-08
Adam Sieradzan
zmiany w galezi multichain
tree
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commitdiff
2014-01-29
Adam Sieradzan
DO zmiany czytanie pisanie i cutoff
tree
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commitdiff
2013-11-18
Adam Sieradzan
dzialajacy gradient
tree
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commitdiff
2013-11-14
Adam Sieradzan
Dzialajacy gradient dla reszt 13 i 7
tree
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commitdiff
2013-11-14
Adam Sieradzan
zabezpieczenie przedczarkowe
tree
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commitdiff
2013-11-06
Dawid Jagiela
junk files cleanup
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 6
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 5
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 4
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 3
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 2
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 1
tree
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commitdiff
2013-11-05
Adam Sieradzan
Merge branch 'adasko' into devel
tree
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commitdiff
2013-11-05
Adam Sieradzan
pierwsza proba merga devela do adasko
tree
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commitdiff
2013-10-30
Cezary Czaplewski
Makefile for pgi 2013
tree
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commitdiff
2013-10-30
Cezary Czaplewski
testing Makefile for pgi compiler
tree
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commitdiff
2013-09-02
Dawid Jagiela
resolved conflicts in: source/unres/src_MD/CMakeLists.txt
tree
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commitdiff
2013-09-02
Cezary Czaplewski
repair of broken merge
tree
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commitdiff
2013-09-02
Cezary Czaplewski
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2013-09-02
Cezary Czaplewski
merging devel
tree
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commitdiff
2013-09-02
Cezary Czaplewski
Merge branch 'prerelease-3.2.1' of mmka:unres into...
tree
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commitdiff
2013-09-02
Cezary Czaplewski
dynamic disulfides in multichain
tree
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commitdiff
2013-08-31
Adam Kazimierz Sie...
1)Clean-up 2)making similar src_MD and its multichain...
tree
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commitdiff
2013-08-31
Adam Kazimierz Sie...
Merge branch 'adasko' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2013-08-31
Adam Kazimierz Sie...
Clean-up in parmread for src-MD and src-MD-M
tree
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commitdiff
2013-08-31
Adam Kazimierz Sie...
wylaczenie diagnostyki
tree
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commitdiff
2013-08-31
Adam Kazimierz Sie...
zmiany w prereleasie drobne
tree
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commitdiff
2013-08-23
Dawid Jagiela
Fix to use native system xdr headers
tree
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commitdiff
2013-07-25
Dawid Jagiela
test name changed for unres MD DFA version
tree
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commitdiff
2013-07-25
Dawid Jagiela
test name changed for unres MD DFA version
tree
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commitdiff
2013-07-25
Dawid Jagiela
Merge branch 'prerelease-3.2.1' into devel
tree
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commitdiff
2013-07-25
Dawid Jagiela
Merge branch 'prerelease-3.2.1' into devel
tree
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commitdiff
2013-07-16
Adam Sieradzan
NIE PEWNE ZMIANY ZWERYFIKUJ!!
tree
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commitdiff
2013-05-07
Cezary Czaplewski
some corrections in xdrf2pdb-m for dyn_ss
tree
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commitdiff
2013-05-07
Cezary Czaplewski
some corrections in xdrf2pdb-m for dyn_ss
tree
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commitdiff
2013-04-12
Dawid Jagiela
added default preprocessor flags for unknown compilers
tree
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commitdiff
2013-04-12
Dawid Jagiela
added default preprocessor flags for unknown compilers
tree
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commitdiff
2013-04-08
Cezary Czaplewski
correct writing of dyn_ss for cx and x
tree
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commitdiff
2013-04-08
Cezary Czaplewski
correct writing of dyn_ss for cx and x
tree
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commitdiff
2013-02-19
Cezary Czaplewski
cleaning of gfortran warnings in src_MD_DFA
tree
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commitdiff
2013-02-19
Cezary Czaplewski
cleaning of gfortran warnings in src_MD_DFA
tree
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commitdiff
2013-02-19
Cezary Czaplewski
cleaning of gfortran warnings
tree
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commitdiff
2013-02-19
Cezary Czaplewski
cleaning of gfortran warnings
tree
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commitdiff
2013-02-19
Cezary Czaplewski
copy DFA cleaning of types from CSA to MD
tree
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commitdiff
2013-02-19
Cezary Czaplewski
copy DFA cleaning of types from CSA to MD
tree
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commitdiff
2013-02-19
Cezary Czaplewski
repairs error in merge
tree
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commitdiff
2013-02-19
Cezary Czaplewski
repairs error in merge
tree
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commitdiff
2013-02-19
Cezary Czaplewski
Merge branch 'prerelease-3.2.1' into devel
tree
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commitdiff
2013-02-19
Cezary Czaplewski
Merge branch 'prerelease-3.2.1' into devel
tree
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commitdiff
2013-02-19
Cezary Czaplewski
dyn_ss and other finegrain printout cleaning
tree
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commitdiff
2013-02-19
Cezary Czaplewski
dyn_ss and other finegrain printout cleaning
tree
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commitdiff
2013-02-18
Cezary Czaplewski
dynamic dissulfides with finegrain parallelization...
tree
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commitdiff
2013-02-18
Cezary Czaplewski
dynamic dissulfides with finegrain parallelization...
tree
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commitdiff
2013-02-18
Cezary Czaplewski
Merge branch 'prerelease-3.2.1' of mmka:unres into...
tree
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commitdiff
2013-02-18
Cezary Czaplewski
Merge branch 'prerelease-3.2.1' of mmka:unres into...
tree
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commitdiff
2013-02-18
Cezary Czaplewski
dynamic dissulfides with finegrain parallelization
tree
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commitdiff
2013-02-18
Cezary Czaplewski
dynamic dissulfides with finegrain parallelization
tree
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commitdiff
2013-02-18
Adam Liwo
Added refsys.f to src_CSA_DiL
tree
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commitdiff
2013-02-18
Adam Liwo
Added refsys.f to src_CSA_DiL
tree
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commitdiff
2013-02-18
Adam Liwo
Added refsys,f
tree
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commitdiff
2013-02-18
Adam Liwo
Added refsys,f
tree
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commitdiff
2013-02-18
Adam Liwo
refsys deleted from readpdb.F in srd_CSA_DiL
tree
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commitdiff
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