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cxread debug 7
[unres.git]
/
source
/
2015-05-25
Adam Sieradzan
cxread debug 7
tree
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commitdiff
2015-05-25
Adam Sieradzan
debug part 6
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commitdiff
2015-05-25
Adam Sieradzan
Debug 5
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commitdiff
2015-05-25
Adam Sieradzan
another DEBUG
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commitdiff
2015-05-25
Adam Sieradzan
dubug dss part 3
tree
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commitdiff
2015-05-25
Adam Sieradzan
diffrent name for evdw
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commitdiff
2015-05-25
Adam Sieradzan
TRISS debug
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commitdiff
2015-05-25
Adam Sieradzan
Warnig Debug ON
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commitdiff
2015-05-24
Adam Sieradzan
Corrected WHAM and UNRES reading in SS dyn...
tree
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commitdiff
2015-05-23
Adam Sieradzan
Introduction of working dyn_ss and triss. Problems...
tree
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commitdiff
2015-05-23
Adam Sieradzan
Correction in readrtns
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commitdiff
2015-05-23
Adam Sieradzan
Change in line of dyn_ss
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commitdiff
2015-05-22
Adam Sieradzan
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2015-05-22
Adam Sieradzan
Adding dyn_ss and triss potentials to src-M wham
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commitdiff
2015-05-22
Pawel Krupa
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2015-05-22
Pawel Krupa
Fixed bug in reading trisulfide potentials (atriss...
tree
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commitdiff
2015-05-06
Dawid Jagiela
fixed install binary paths
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commitdiff
2015-04-21
Pawel Krupa
MPICH2 and energy fixes in WHAM-M and Cluster-M.
tree
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commitdiff
2015-04-17
Adam Sieradzan
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2015-04-17
Pawel Krupa
Fixed error caused by new MPICH2, which made WHAM-M...
tree
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commitdiff
2015-04-17
Adam Sieradzan
poprawka w COMMON.SBRIDE dla triss
tree
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commitdiff
2015-04-16
Pawel Krupa
Fixed energy differs in WHAM-M (EBE).
tree
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commitdiff
2015-04-13
Adam Sieradzan
poprawka w intcartderiv
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commitdiff
2015-04-13
Adam Sieradzan
Introduction of SS to newcorr and SSS to src_MD-M
tree
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commitdiff
2015-04-05
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2015-04-05
Dawid Jagiela
added Force-Fields descriptions in exe filenames
tree
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commitdiff
2015-03-26
Pawel Krupa
MD problems fixed with FGPROC>1
tree
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commitdiff
2015-02-19
Adam Sieradzan
poprawki w ANG w src_MD-M
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commitdiff
2015-01-29
Adam Liwo
Corrected refsys.f in src_MD-M
tree
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commitdiff
2014-12-05
Cezary Czaplewski
changes from prerelease src_CSA_DiL copied to devel
tree
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commitdiff
2014-11-06
Dawid Jagiela
fixed src_MD_DFA ala10 ctest
tree
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commitdiff
2014-11-06
Dawid Jagiela
1) changes for FindMPI macro in source/unres/src_MD_DFA
tree
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commitdiff
2014-11-05
Dawid Jagiela
fixed marge problem
tree
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commitdiff
2014-11-05
Dawid Jagiela
Merge branch 'prerelease-3.2.1' into devel
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
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
2014-10-16
Dawid Jagiela
64-bit fix for unres/CSA and unres/CSA_DiL code
tree
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commitdiff
2014-10-14
Dawid Jagieła
Merge branch 'prerelease-3.2.1' of mmka:unres into...
tree
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commitdiff
2014-10-14
Dawid Jagieła
fixed CMake variable typo
tree
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commitdiff
2014-10-08
Cezary Czaplewski
correct default option for compilers in cluster CmakeLi...
tree
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commitdiff
2014-10-08
Cezary Czaplewski
correct default option for compilers in wham CmakeList.txt
tree
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commitdiff
2014-07-23
Dawid Jagiela
added "make install" support for: unres (MD, MD-M,...
tree
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commitdiff
2014-07-04
Adam Kazimierz Sie...
BUG FIX for SUMSL minimization
tree
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commitdiff
2014-06-24
Adam Sieradzan
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2014-06-24
Adam Sieradzan
bug fix for langevin dynamics
tree
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commitdiff
2014-06-24
Cezary Czaplewski
Makefile without debuging
tree
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commitdiff
2014-06-18
Cezary Czaplewski
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2014-06-18
Cezary Czaplewski
dyn-ss in MD-M
tree
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commitdiff
2014-06-17
Adam Kazimierz Sie...
dalej wylaczona diagnostyka
tree
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commitdiff
2014-06-17
Adam Kazimierz Sie...
wylacznie diagnostyki
tree
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commitdiff
2014-06-17
Cezary Czaplewski
correcter Makefile and errors side chain parameters
tree
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commitdiff
2014-06-17
Cezary Czaplewski
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2014-06-17
Cezary Czaplewski
xdrf2x tests
tree
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commitdiff
2014-06-03
Dawid Jagieła
fixed typo
tree
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commitdiff
2014-06-03
Dawid Jagieła
fix for MD tests in E0LL2Y FF
tree
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commitdiff
2014-06-03
Dawid Jagieła
fixed binary name generation in unres/src_MD-M
tree
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commitdiff
2014-06-03
Dawid Jagieła
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2014-06-03
Dawid Jagieła
wywalka smieci - ludzie budujcie w katalogu build!
tree
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commitdiff
2014-06-03
Bartlomiej Zaborowski
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2014-06-03
Bartlomiej Zaborowski
Modification files required corresponding architecture
tree
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commitdiff
2014-06-03
Bartlomiej Zaborowski
Modification files required corresponding architecture
tree
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commitdiff
2014-05-08
Adam Sieradzan
wlaczenie timing
tree
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commitdiff
2014-05-08
Adam Sieradzan
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2014-04-10
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2014-04-10
Adam Liwo
Added source/wham/src-NEWSC-NEWCORR/
tree
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commitdiff
2014-04-10
Adam Liwo
Added src_MD-M-newcorr (Adasko's source) and src-NEWSC...
tree
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commitdiff
2014-04-01
Adam Liwo
Added src_Eshel (decoy processing for threading)
tree
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commitdiff
2014-03-19
Adam Liwo
Fixed iatsc_s and iatscp_s for 1 residue (was 0 with...
tree
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commitdiff
2014-03-18
Adam Sieradzan
Devel ma zle COMMON.TORSIONAL w src_MD (single chain)
tree
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commitdiff
2013-11-06
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
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
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2013-11-05
Adam Sieradzan
Bugfix for smaller size of memory
tree
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commitdiff
2013-11-05
Dawid Jagiela
deleted: cluster/wham/src-M/permut.o
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 11
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 10
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 9
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 8
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug cd 7
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 7
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
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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
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commitdiff
2013-11-05
Adam Sieradzan
Dostosowanie w src whama i clustra
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
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2013-10-30
Cezary Czaplewski
testing Makefile for pgi compiler
tree
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commitdiff
2013-10-07
Adam Sieradzan
small correctian in wham
tree
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commitdiff
2013-09-22
Dawid Jagiela
show_UNRES.py - large loops speedup by using xrange
tree
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commitdiff
2013-09-02
Dawid Jagiela
resolved conflicts in: source/unres/src_MD/CMakeLists.txt
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commitdiff
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