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Back to preavious changes (without SCCOR)
[unres.git]
/
source
/
2012-10-10
Bartlomiej Zaborowski
Back to preavious changes (without SCCOR)
tree
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commitdiff
2012-10-10
Bartlomiej Zaborowski
Merge branch 'devel' into bartek. Fixed conflicts in...
tree
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commitdiff
2012-10-09
Bartlomiej Zaborowski
1. Fixed merge conflicts
tree
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commitdiff
2012-10-09
Bartlomiej Zaborowski
1. Added new files to PARAM
tree
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commitdiff
2012-10-06
Bartlomiej Zaborowski
Small changes in source src_CSA_DiL. Compilation works now
tree
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commitdiff
2012-10-03
Bartlomiej Zaborowski
Fixed Cmake variable
tree
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commitdiff
2012-10-03
Bartlomiej Zaborowski
1. Fixed merge conflicts
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commitdiff
2012-10-02
Bartlomiej Zaborowski
Merge branch 'bartek' into devel
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commitdiff
2012-10-02
Bartlomiej Zaborowski
Merge branch 'bartek2' into bartek
tree
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commitdiff
2012-10-02
Bartlomiej Zaborowski
zmiana do DiL
tree
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commitdiff
2012-10-02
Bartlomiej Zaborowski
Rozgrzebany DIL
tree
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commitdiff
2012-10-02
Bartlomiej Zaborowski
D i L aminokwasy dzialajace dla src_CSA
tree
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commitdiff
2012-09-26
Bartlomiej Zaborowski
"DiL zmiana w param read i tuz przed testami"
tree
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commitdiff
2012-09-26
Bartlomiej Zaborowski
"Przygotowanie CSA do D i L aminokwasow"
tree
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commitdiff
2012-08-20
Dawid Jagiela
added CMake build file for source/maxlik/src_CSA/
tree
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commitdiff
2012-08-20
Dawid Jagiela
1. cmake cinfo.f generation for all sources 2. deleted...
tree
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commitdiff
2012-08-08
Bartlomiej Zaborowski
Maximum likelihood parameters optimization program...
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commitdiff
2012-08-08
Bartlomiej Zaborowski
CASP3 force field deleted. Fixed merge conflicts.
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commitdiff
2012-08-08
Bartlomiej Zaborowski
Old force fields removed, new ones (GAB, E0LL2Y) added.
tree
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commitdiff
2012-07-31
Adam Kazimierz Sie...
poprawka clustrowania z potencjalami wsccor (zle czytan...
tree
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commitdiff
2012-07-30
Adam Kazimierz Sie...
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2012-07-30
Adam Kazimierz Sie...
poprawka w cluster dla potencjalow shelleya
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commitdiff
2012-07-19
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2012-07-19
Dawid Jagiela
cinfo.f generation and macro for unres MD
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commitdiff
2012-07-18
Adam Kazimierz Sie...
modified Makefile
tree
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commitdiff
2012-07-18
Adam Kazimierz Sie...
hotfix parmread
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commitdiff
2012-07-18
Adam Kazimierz Sie...
Revert "Merge branch 'adasko' into devel"
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commitdiff
2012-07-18
Adam Kazimierz Sie...
Revert "poprawka przy liczeniu tau w clustrze"
tree
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commitdiff
2012-07-17
Adam Kazimierz Sie...
Merge branch 'adasko' into devel
tree
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commitdiff
2012-07-17
Adam Kazimierz Sie...
D i L aminokwasy dzialajace dla src_MD
tree
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commitdiff
2012-07-09
Adam Kazimierz Sie...
D i L aminokwasy tuz przed testami
tree
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commitdiff
2012-07-06
Adam Kazimierz Sie...
poprawki makefile ktore i tak zostan zmienione
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commitdiff
2012-07-06
Adam Kazimierz Sie...
wyrowanie COMMON>SCCOR
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commitdiff
2012-07-06
Adam Kazimierz Sie...
Wyrowanie w COmmonie...
tree
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commitdiff
2012-07-06
Adam Kazimierz Sie...
poprawka przy liczeniu tau w clustrze
tree
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commitdiff
2012-07-06
Adam Kazimierz Sie...
proba pullowania
tree
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commitdiff
2012-07-06
Adam Kazimierz Sie...
Zabijanie robakow znalezionych przez Pawla w WHAMie
tree
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commitdiff
2012-07-06
Adam Kazimierz Sie...
zmiana do DiL
tree
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commitdiff
2012-07-05
Adam Liwo
Merge branch 'adam' into devel
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commitdiff
2012-07-05
Adam Liwo
Minor change
tree
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commitdiff
2012-07-05
Adam Liwo
Minor change
tree
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commitdiff
2012-07-05
Adam Kazimierz Sie...
zmiana binarki...
tree
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commitdiff
2012-07-05
Adam Liwo
Merge branch 'adam' into devel
tree
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commitdiff
2012-07-05
Adam Liwo
5/7/2012 by Adam
tree
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commitdiff
2012-07-05
Adam Kazimierz Sie...
DIL zmiana w param read
tree
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commitdiff
2012-07-05
Adam Kazimierz Sie...
hotfix of SCCOR potentials
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commitdiff
2012-07-05
Adam Kazimierz Sie...
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2012-07-05
Adam Kazimierz Sie...
hotfix do potencjalow AM1
tree
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commitdiff
2012-07-05
Adam Kazimierz Sie...
Rozgrzebany DIL
tree
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commitdiff
2012-06-27
Dawid Jagiela
1) added ctests for xdrf2pdb-m 2) cleanup
tree
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commitdiff
2012-06-27
Dawid Jagiela
fixed broken (by adasko) alignment in COMMON.SCCOR
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commitdiff
2012-06-27
Adam Kazimierz Sie...
Merge branch 'adasko' into devel
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commitdiff
2012-06-27
Adam Kazimierz Sie...
glupia zmiana
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commitdiff
2012-06-27
Adam Kazimierz Sie...
Wprowadzenie SCCOR do WHAMa i CLUSTROWNIA
tree
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commitdiff
2012-06-20
Dawid Jagiela
LAM/MPI boot ctest modification
tree
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commitdiff
2012-06-19
Dawid Jagiela
added -cpp flag to force preprocesing for all files...
tree
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commitdiff
2012-06-19
Dawid Jagiela
Moved ifdef MOMENT part from COMMON.CONTACTS to COMMON...
tree
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commitdiff
2012-06-18
Dawid Jagiela
enable compiler preprocesor flags for non-standard...
tree
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commitdiff
2012-06-18
Dawid Jagiela
added source/cluster/wham/src/gnmr1.f to cmake build
tree
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commitdiff
2012-06-18
Dawid Jagiela
added gnmr1.f to sources in cmake builds
tree
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commitdiff
2012-06-18
Dawid Jagiela
fixed merge conflict in readrtns_csa.F
tree
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commitdiff
2012-06-18
Dawid Jagiela
fixed source/xdrfpdb/src-M/xdrf2pdb-m.F
tree
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commitdiff
2012-06-18
Dawid Jagiela
fixed merge renamed source file: newconf.f is now newconf.F
tree
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commitdiff
2012-06-18
Dawid Jagiela
resolving merge conflicts
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commitdiff
2012-06-18
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2012-06-18
Adam Liwo
Merge branch 'adam' into devel
tree
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commitdiff
2012-06-18
Dawid Jagiela
fixed indent for gfortran build in source/unres/src_MD...
tree
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commitdiff
2012-06-18
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2012-06-18
Dawid Jagiela
removed MPI form CMakeLists.txt in xdrfpdb
tree
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commitdiff
2012-06-18
Adam Kazimierz Sie...
Merge branch 'adasko' into devel
tree
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commitdiff
2012-06-18
Adam Kazimierz Sie...
zmiany po usunieciu diagnostyki...
tree
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commitdiff
2012-06-15
Adam Liwo
6/15/2012 by Adam
tree
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commitdiff
2012-06-15
Adam Kazimierz Sie...
dzialajacy grad check....
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commitdiff
2012-06-14
Adam Liwo
6/14/12 by Adam: unnecessary files deleted
tree
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commitdiff
2012-06-14
Adam Liwo
6/14/12 by Adam - changes committed
tree
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commitdiff
2012-06-14
Adam Liwo
6/14/2012 by Adam
tree
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commitdiff
2012-06-14
Adam Kazimierz Sie...
Dzialajacy INTERTYP=1 i INTERTYP=2
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commitdiff
2012-06-11
Adam Liwo
6/11/2012 by Adam
tree
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commitdiff
2012-06-11
Adam Liwo
6/11/2012 by Adam
tree
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commitdiff
2012-06-11
Dawid Jagiela
fixed iblnk in xdrf2ang
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commitdiff
2012-06-11
Dawid Jagiela
added ctests for xdrf2ang
tree
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commitdiff
2012-06-11
Dawid Jagiela
fix of malloc in xdrf2pdb-m
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commitdiff
2012-06-11
Dawid Jagiela
fix of xdrf2ang
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commitdiff
2012-06-11
Cezary Czaplewski
DFA is switched off by default
tree
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commitdiff
2012-06-11
Adam Liwo
6/11/2012 Changes of the CSA version
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commitdiff
2012-06-11
Adam Liwo
6/11/2012 Update of the CSA version
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commitdiff
2012-06-08
Dawid Jagiela
added ctest/1LE1_mremd_MD000.cx for xdrf2pdb-m testing
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commitdiff
2012-06-05
Dawid Jagiela
xdrf2pdb programs doesn't require MPI so MPI-flags...
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commitdiff
2012-06-05
Dawid Jagiela
added ctests for xdrf2pdb (one & three letter sequence )
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commitdiff
2012-06-05
Dawid Jagiela
UNRES single MD for MPI ctest file permissions fix
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commitdiff
2012-06-05
Adam Kazimierz Sie...
UDALO SIE TERAZ DEBUG
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commitdiff
2012-06-05
Dawid Jagiela
added MPI ctest for unres single MD
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commitdiff
2012-05-29
Adam Kazimierz Sie...
kolejna
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commitdiff
2012-05-29
Adam Kazimierz Sie...
zmienionwe zostaly i zostal chyba tylko int to cart...
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commitdiff
2012-05-29
Adam Kazimierz Sie...
sadas
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commitdiff
2012-05-29
Adam Liwo
5/29/2012 by Adam
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commitdiff
2012-05-27
Dawid Jagiela
compile_definitions workaround (cmake does not pass...
tree
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commitdiff
2012-05-27
Dawid Jagiela
included <stdio.h> in proc_proc.c
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commitdiff
2012-05-27
Dawid Jagiela
sscanf EOF fix in source/wham/src-M/proc_proc.c
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commitdiff
2012-05-27
Dawid Jagiela
closing ascii art frames in energy_p_new.F
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commitdiff
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