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Merge branch 'multichain' of mmka:unres into multichain
[unres.git]
/
source
/
unres
/
src_MD-M
/
2015-07-06
Adam Sieradzan
Merge branch 'multichain' of mmka:unres into multichain
tree
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commitdiff
2015-06-30
rojas
Change in energy_p_new_barrier.F, in eelec, aorund...
tree
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commitdiff
2015-06-26
Adam Sieradzan
Changes suggested by Ana
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commitdiff
2015-03-25
Adam Sieradzan
important change for single processor for multi-chain
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commitdiff
2015-03-18
Adam Sieradzan
correction of correlation potentials
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commitdiff
2015-03-04
Adam Sieradzan
correction in multichain
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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
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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
Created binaries and fixed bugs when compiling single...
tree
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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
2014-10-27
Dawid Jagiela
1) binaries are compiled into /bin subdirectory of...
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commitdiff
2014-10-26
Dawid Jagiela
switched to CMake FindMPI module in all source files...
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commitdiff
2014-10-26
Dawid Jagiela
added missing preprocessor flags for prng_32.F
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commitdiff
2014-10-25
Dawid Jagiela
prng.f unification
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commitdiff
2014-10-23
Adam Sieradzan
poprawka w stochasticfric
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commitdiff
2014-10-14
Dawid Jagieła
fixed CMake variable typo
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commitdiff
2014-07-24
Adam Kazimierz Sie...
After long DEBUG of energy function
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commitdiff
2014-07-22
Adam Sieradzan
correction in MD returnbox
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commitdiff
2014-06-24
Adam Sieradzan
bug fix for langevin dynamics
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commitdiff
2014-06-10
Adam Sieradzan
Bug fix for reading single residue from pdb
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commitdiff
2014-05-25
Adam Sieradzan
zmiany w multichainie
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commitdiff
2014-05-25
Adam Kazimierz Sie...
zmiany, wylaczenie diagnostyki, dzialajacy WHAM
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commitdiff
2014-05-21
Adam Kazimierz Sie...
diagnoza dlaczego WHAM nie dziala
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commitdiff
2014-05-13
Adam Sieradzan
Wylacznie timiningu i sprawdzenie gradientu
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commitdiff
2014-05-12
Adam Sieradzan
po przyspieszeniu przed checkgradem i sympcheckiem
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commitdiff
2014-05-08
Adam Sieradzan
Adjusted energy file (small improvement)
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commitdiff
2014-05-01
Adam Sieradzan
polepszenie wydajnosci algorytmu PBC
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commitdiff
2014-03-03
Adam Sieradzan
poprawka w refsysie
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commitdiff
2014-02-24
Adam Sieradzan
Working gradient for PBC
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commitdiff
2014-02-17
Adam Sieradzan
The wrong one gradient compontent...
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commitdiff
2014-02-08
Adam Sieradzan
zmiany w galezi multichain
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commitdiff
2014-01-29
Adam Sieradzan
DO zmiany czytanie pisanie i cutoff
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commitdiff
2013-11-18
Adam Sieradzan
dzialajacy gradient
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commitdiff
2013-11-14
Adam Sieradzan
Dzialajacy gradient dla reszt 13 i 7
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commitdiff
2013-11-14
Adam Sieradzan
zabezpieczenie przedczarkowe
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commitdiff
2013-11-06
Dawid Jagiela
junk files cleanup
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 5
tree
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commitdiff
2013-11-05
Adam Sieradzan
pierwsza proba merga devela do adasko
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commitdiff
2013-09-02
Cezary Czaplewski
dynamic disulfides in multichain
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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
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commitdiff
2013-07-16
Adam Sieradzan
NIE PEWNE ZMIANY ZWERYFIKUJ!!
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commitdiff
2013-04-12
Dawid Jagiela
added default preprocessor flags for unknown compilers
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commitdiff
2013-04-12
Dawid Jagiela
added default preprocessor flags for unknown compilers
tree
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commitdiff
2013-02-18
Adam Liwo
8/11/12 by Adam: fixed disulfide bridge problems
tree
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commitdiff
2013-02-18
Adam Liwo
8/11/12 by Adam: fixed disulfide bridge problems
tree
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commitdiff
2013-02-17
Adam Liwo
Fixed the addition of dummy chain ends to structures...
tree
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commitdiff
2013-02-17
Adam Liwo
Fixed the addition of dummy chain ends to structures...
tree
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commitdiff
2013-02-17
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2013-02-17
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2013-02-17
Adam Liwo
Fixed the addition of dummy chain ends to structures...
tree
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commitdiff
2013-02-17
Adam Liwo
Fixed the addition of dummy chain ends to structures...
tree
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commitdiff
2013-02-16
Cezary Czaplewski
no type declaration in common
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commitdiff
2013-02-16
Cezary Czaplewski
no type declaration in common
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commitdiff
2013-02-16
Cezary Czaplewski
src_MD-M compiles with old Makefile and common sccor...
tree
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commitdiff
2013-02-16
Cezary Czaplewski
src_MD-M compiles with old Makefile and common sccor...
tree
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commitdiff
2013-02-14
Cezary Czaplewski
compilation only
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commitdiff
2013-02-14
Cezary Czaplewski
compilation only
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commitdiff
2012-12-18
Adam Sieradzan
Usuniecie diagnostyki
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commitdiff
2012-12-12
Adam Kazimierz Sie...
debud OFF
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commitdiff
2012-12-12
Andrei Niadzvedtski
debug ON w MD
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commitdiff
2012-12-10
Adam Sieradzan
zmiana w komonie
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commitdiff
2012-12-06
Adam Sieradzan
bugfix w whamie w parmreadzie
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commitdiff
2012-12-06
Adam Sieradzan
bugfix przekroczenia granic
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commitdiff
2012-12-05
Adam Sieradzan
zmaina w xdrf
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commitdiff
2012-12-04
Adam Sieradzan
bugfix w contact parm
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commitdiff
2012-12-03
Andrei Niadzvedtski
Zmiana w wham-m dla pola Yi
tree
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commitdiff
2012-11-30
Adam Sieradzan
zmiana w symetry (bugfix)
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commitdiff
2012-11-26
Adam Kazimierz Sie...
Usuniecie diagnostyki w dzialajacym polu yi src_MD-M
tree
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes in local_move.f, energy_p_new.F & initia...
tree
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes in local_move.f, energy_p_new.F & initia...
tree
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commitdiff
2012-11-23
Adam Kazimierz Sie...
Dzialajace gradient dla src_MD-M dla pola Yi
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commitdiff
2012-11-23
Dawid Jagiela
gfortran foxes in src_CSA/energy_p_new_barrier.F, src_C...
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commitdiff
2012-11-23
Dawid Jagiela
gfortran foxes in src_CSA/energy_p_new_barrier.F, src_C...
tree
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes for src_MD-M
tree
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes for src_MD-M
tree
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commitdiff
2012-11-23
Dawid Jagiela
fix 80 column in initialize_p.F
tree
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commitdiff
2012-11-23
Dawid Jagiela
fix 80 column in initialize_p.F
tree
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes in initialize_p.F for src_MD-M
tree
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes in initialize_p.F for src_MD-M
tree
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commitdiff
2012-11-23
Dawid Jagiela
alignment fixes in COMMON.CHAIN for src_MD-M
tree
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commitdiff
2012-11-23
Dawid Jagiela
alignment fixes in COMMON.CHAIN for src_MD-M
tree
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commitdiff
2012-11-23
Dawid Jagiela
alignment fixes in COMMON.CHAIN for src_MD-M
tree
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commitdiff
2012-11-23
Dawid Jagiela
alignment fixes in COMMON.CHAIN for src_MD-M
tree
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commitdiff
2012-11-23
Dawid Jagiela
force legacy standard for gfortran
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commitdiff
2012-11-23
Dawid Jagiela
force legacy standard for gfortran
tree
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commitdiff
2012-11-23
Andrei Niadzvedtski
Merge branch 'adasko' of mmka:unres into adasko
tree
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commitdiff
2012-11-23
Andrei Niadzvedtski
drobna zmiana cmake
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commitdiff
2012-11-22
Adam Sieradzan
zminy w cmake
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commitdiff
2012-11-22
Adam Kazimierz Sie...
zmiany najnowsze
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commitdiff
2012-11-21
Adam Kazimierz Sie...
Nowe potencjaly walencyjne dla pola Yi uwzgledniajace...
tree
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commitdiff
2012-11-08
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2012-11-08
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2012-11-08
Adam Liwo
8/11/12 by Adam: fixed disulfide bridge problems
tree
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commitdiff
2012-11-08
Adam Liwo
8/11/12 by Adam: fixed disulfide bridge problems
tree
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commitdiff
2012-11-07
Dawid Jagiela
force legacy standard for gfortran
tree
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commitdiff
2012-11-07
Dawid Jagiela
force legacy standard for gfortran
tree
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commitdiff
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