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Merge branch 'master' of mmka.chem.univ.gda.pl:unres into homology
[unres.git]
/
source
/
unres
/
src_CSA
/
2015-02-11
Adam Sieradzan
intro of SCCOR into src_MIN
tree
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commitdiff
2015-01-08
Cezary Czaplewski
Makefiles for mpich2 and some corrections to Makefiles
tree
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commitdiff
2015-01-04
Adam Sieradzan
poprawka gradientu w CSA
tree
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commitdiff
2015-01-04
Adam Sieradzan
Naprawienie wham'a oraz wprowadzenie SCcorr do CSA
tree
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commitdiff
2014-12-05
Cezary Czaplewski
new options for mpich2 with gfortran Makefile
tree
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commitdiff
2014-11-28
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
2014-10-27
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
2014-10-16
Dawid Jagiela
64-bit fix for unres/CSA and unres/CSA_DiL code
tree
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commitdiff
2013-02-18
Adam Liwo
Added refsysy to Cmakelists
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
2013-02-16
Cezary Czaplewski
type declaration in COMMON.DFA
tree
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commitdiff
2013-02-16
Cezary Czaplewski
rename common sccorin src_CSA
tree
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commitdiff
2012-12-19
Dawid Jagiela
poprawki w COMMONAch
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 foxes in src_CSA/energy_p_new_barrier.F, src_C...
tree
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commitdiff
2012-11-23
Dawid Jagiela
fixed typos in initialize_p.F
tree
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes in src_CSA for initialize_p.F
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
force legacy standard for gfortran
tree
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commitdiff
2012-10-31
Dawid Jagiela
CMake makro cinfo.f fix
tree
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commitdiff
2012-10-17
Adam Liwo
Merge branch 'adam' into devel
tree
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commitdiff
2012-10-17
Adam Liwo
Commit 10/17/12 Adam
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
CASP3 force field deleted. Fixed merge conflicts.
tree
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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
2012-07-19
Dawid Jagiela
cinfo.f generation and macro for unres MD
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
fixed merge conflict in readrtns_csa.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
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
2012-06-15
Adam Liwo
6/15/2012 by Adam
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
2012-06-11
Adam Liwo
6/11/2012 by Adam
tree
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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 Update of the CSA version
tree
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commitdiff
2012-05-26
Dawid Jagiela
EOF warning fix
tree
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commitdiff
2012-05-26
Dawid Jagiela
compinfo.c rewrite
tree
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commitdiff
2012-05-26
Dawid Jagiela
compinfo.c warning supresion
tree
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commitdiff
2012-05-18
Dawid Jagiela
Merge branch 'feature-cmake' into devel
tree
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commitdiff
2012-05-14
Dawid Jagiela
added cmake files to build source/wham/src under ifort
tree
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commitdiff
2012-05-12
Dawid Jagiela
modified: energy_p_new_barrier.F - closed ascii art...
tree
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commitdiff
2012-05-11
Dawid Jagiela
added/modified CMake files for all subdirs in source...
tree
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commitdiff
2012-05-09
Dawid Jagiela
src_MD-M CMake build files + junkfiles cleanup
tree
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commitdiff
2012-05-09
Cezary Czaplewski
compilation of DFA/CSA code
tree
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commitdiff
2012-05-09
Cezary Czaplewski
DFA is switched off by default
tree
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commitdiff
2012-04-11
Cezary Czaplewski
minimization in csa code is working now correctly
tree
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commitdiff
2012-03-28
Cezary Czaplewski
path for executable corrected
tree
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commitdiff
2012-03-28
Cezary Czaplewski
new files for tmscore and reminimization
tree
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commitdiff
2012-03-28
Cezary Czaplewski
cleaning - unecessary files deleted
tree
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commitdiff
2012-02-25
Dawid Jagieła
added source code
v.3.0
tree
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commitdiff