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unres.git
2014-06-03
Bartlomiej...
Modification files required corresponding architecture
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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
wlaczenie timing
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2014-05-08
Adam Sieradzan
Merge branch 'devel' of mmka:unres into devel
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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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2014-04-25
Dawid Jagiela
1) added warnings suppression if find_package(MPI)...
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2014-04-15
Dawid Jagieła
DON'T DELETE THE "git-daemon-export-ok" FILE!!!
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2014-04-10
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
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2014-04-10
Adam Liwo
Added new files to the NEWCORR version
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2014-04-10
Adam Liwo
Added source/wham/src-NEWSC-NEWCORR/
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2014-04-10
Adam Liwo
Added src_MD-M-newcorr (Adasko's source) and src-NEWSC...
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2014-04-01
Adam Liwo
Added src_Eshel (decoy processing for threading)
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2014-03-19
Adam Liwo
Fixed iatsc_s and iatscp_s for 1 residue (was 0 with...
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2014-03-18
Adam Sieradzan
Devel ma zle COMMON.TORSIONAL w src_MD (single chain)
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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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2013-11-20
Pawel Krupa
Poprawione przyklady do pola ff_gab (zmieniony potencja...
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2013-11-18
Adam Sieradzan
dzialajacy gradient
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2013-11-14
Adam Sieradzan
Dzialajacy gradient dla reszt 13 i 7
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2013-11-14
Adam Sieradzan
zabezpieczenie przedczarkowe
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2013-11-06
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
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2013-11-06
Dawid Jagiela
junk files cleanup
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2013-11-05
Adam Sieradzan
Merge branch 'devel' of mmka:unres into devel
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2013-11-05
Adam Sieradzan
Bugfix for smaller size of memory
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2013-11-05
Dawid Jagiela
deleted: cluster/wham/src-M/permut.o
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2013-11-05
Adam Sieradzan
Debug part 11
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2013-11-05
Adam Sieradzan
Debug part 10
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2013-11-05
Adam Sieradzan
Debug part 9
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2013-11-05
Adam Sieradzan
Debug part 8
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2013-11-05
Adam Sieradzan
Debug cd 7
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2013-11-05
Adam Sieradzan
Debug part 7
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2013-11-05
Adam Sieradzan
Debug part 6
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2013-11-05
Adam Sieradzan
Debug part 5
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2013-11-05
Adam Sieradzan
Debug part 4
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2013-11-05
Adam Sieradzan
Debug part 3
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2013-11-05
Adam Sieradzan
Debug part 2
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2013-11-05
Adam Sieradzan
Debug part 1
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2013-11-05
Adam Sieradzan
Merge branch 'adasko' into devel
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2013-11-05
Adam Sieradzan
Merge branch 'devel' of mmka:unres into devel
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2013-11-05
Adam Sieradzan
ignorowanie build2
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2013-11-05
Adam Sieradzan
pierwsza proba merga devela do adasko
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2013-11-05
Adam Sieradzan
Dostosowanie w src whama i clustra
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2013-11-05
Adam Sieradzan
Merge branch 'adasko' of mmka:unres into adasko
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2013-10-30
Cezary Czaplewski
Makefile for pgi 2013
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2013-10-30
Cezary Czaplewski
Merge branch 'devel' of mmka:unres into devel
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2013-10-30
Cezary Czaplewski
testing Makefile for pgi compiler
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2013-10-16
Adam Sieradzan
drobnostki w ext theta (cofniete)
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2013-10-07
Adam Sieradzan
small correctian in wham
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2013-09-22
Dawid Jagiela
show_UNRES.py - large loops speedup by using xrange
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2013-09-02
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
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2013-09-02
Dawid Jagiela
resolved conflicts in: source/unres/src_MD/CMakeLists.txt
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2013-09-02
Cezary Czaplewski
repair of broken merge
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2013-09-02
Cezary Czaplewski
Merge branch 'devel' of mmka:unres into devel
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2013-09-02
Cezary Czaplewski
merging devel
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2013-09-02
Cezary Czaplewski
Merge branch 'prerelease-3.2.1' of mmka:unres into...
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2013-09-02
Cezary Czaplewski
dynamic disulfides in multichain
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2013-09-02
Adam Kazimierz...
Zmiany w pliku sccor_am1_pawel.dat
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2013-08-31
Adam Kazimierz...
1)Clean-up 2)making similar src_MD and its multichain...
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2013-08-31
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
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2013-08-31
Adam Kazimierz...
Merge branch 'adasko' of mmka.chem.univ.gda.pl:unres...
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2013-08-31
Adam Kazimierz...
Merge mmka.chem.univ.gda.pl:unres into adasko
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2013-08-31
Adam Kazimierz...
Clean-up in parmread for src-MD and src-MD-M
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2013-08-31
Adam Kazimierz...
wylaczenie diagnostyki
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2013-08-31
Adam Kazimierz...
Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
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2013-08-31
Adam Kazimierz...
zmiany w prereleasie drobne
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2013-08-23
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
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2013-08-23
Dawid Jagiela
Fix to use native system xdr headers
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2013-08-12
Adam Sieradzan
new tosrional double torsional and valence
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2013-08-12
Adam Sieradzan
new tosrional double torsional and valence
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2013-08-12
Adam Sieradzan
changes for DIMENSION for smaller size MEMory
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2013-08-08
Adam Sieradzan
Merge branch 'prerelease-3.2.1' of mmka:unres into...
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2013-08-07
Cezary Czaplewski
decrease of Max_Parm to 32 necessary for 4GB machine
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2013-08-07
Adam Sieradzan
merge...
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2013-08-07
Adam Sieradzan
usuniecie diagnostyki
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2013-08-05
Cezary Czaplewski
Merge branch 'prerelease-3.2.1' of mmka:unres into...
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2013-08-05
Cezary Czaplewski
only new xdrf2pdb binary
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2013-07-25
Dawid Jagiela
test name changed for unres MD DFA version
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2013-07-25
Dawid Jagiela
test name changed for unres MD DFA version
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2013-07-25
Dawid Jagiela
Merge branch 'prerelease-3.2.1' into devel
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2013-07-25
Dawid Jagiela
Merge branch 'prerelease-3.2.1' into devel
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2013-07-25
Dawid Jagiela
fixed WHAM for gfortran: src/energy_p_new.F
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2013-07-25
Dawid Jagiela
fixed WHAM for gfortran: src/energy_p_new.F
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2013-07-16
Adam Sieradzan
NIE PEWNE ZMIANY ZWERYFIKUJ!!
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2013-06-28
Adam Kazimierz...
Just few comments added to WHAM to clarify
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2013-06-28
Adam Kazimierz...
Just few comments added to WHAM to clarify
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2013-06-28
Adam Kazimierz...
Bugfix for SS wham and introduction SS to cluster analysis
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2013-06-28
Adam Kazimierz...
Bugfix for SS wham and introduction SS to cluster analysis
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