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Merge branch 'master' of mmka:unres
[unres.git]
/
source
/
2014-12-17
Adam Sieradzan
Merge branch 'master' of mmka:unres
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commitdiff
2014-12-11
Adam Liwo
Updated changelog, added minimization-only version...
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commitdiff
2014-12-11
Adam Liwo
Created binaries and fixed bugs when compiling single...
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commitdiff
2014-12-05
Cezary Czaplewski
new options for mpich2 with gfortran Makefile
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commitdiff
2014-12-05
Cezary Czaplewski
src_CSA_DiL removed from prerelease, current version...
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commitdiff
2014-11-28
Dawid Jagiela
changed FF preprocesor flags in src_CSA_DiL/CMakeLists.txt
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commitdiff
2014-11-28
Dawid Jagiela
fixed FF preprocesor flags for src_CSA/CMakeLists.txt
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commitdiff
2014-11-28
Dawid Jagiela
changed csa.f to csa.F in src_CSA/CMakeLists.txt sources
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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
2014-11-05
Dawid Jagiela
ctest ala10 binary location fix
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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
1) Threading cleanup in src_CSA & src_CSA_DiL
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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
2014-10-16
Dawid Jagiela
64-bit fix for unres/CSA and unres/CSA_DiL code
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commitdiff
2014-10-14
Dawid Jagieła
Merge branch 'prerelease-3.2.1' of mmka:unres into...
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commitdiff
2014-10-14
Dawid Jagieła
fixed CMake variable typo
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commitdiff
2014-10-08
Cezary Czaplewski
correct default option for compilers in cluster CmakeLi...
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commitdiff
2014-10-08
Cezary Czaplewski
correct default option for compilers in wham CmakeList.txt
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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
2013-11-05
Adam Sieradzan
Bugfix for smaller size of memory
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 11
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 10
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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
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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
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 6
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 5
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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
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 2
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 1
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commitdiff
2013-11-05
Adam Sieradzan
Merge branch 'adasko' into devel
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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
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commitdiff
2013-10-30
Cezary Czaplewski
Makefile for pgi 2013
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commitdiff
2013-10-30
Cezary Czaplewski
Merge branch 'devel' of mmka:unres into devel
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commitdiff
2013-10-30
Cezary Czaplewski
testing Makefile for pgi compiler
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commitdiff
2013-10-07
Adam Sieradzan
small correctian in wham
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commitdiff
2013-09-22
Dawid Jagiela
show_UNRES.py - large loops speedup by using xrange
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commitdiff
2013-09-02
Dawid Jagiela
resolved conflicts in: source/unres/src_MD/CMakeLists.txt
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commitdiff
2013-09-02
Cezary Czaplewski
repair of broken merge
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commitdiff
2013-09-02
Cezary Czaplewski
Merge branch 'devel' of mmka:unres into devel
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commitdiff
2013-09-02
Cezary Czaplewski
merging devel
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commitdiff
2013-09-02
Cezary Czaplewski
Merge branch 'prerelease-3.2.1' of mmka:unres into...
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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...
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commitdiff
2013-08-31
Adam Kazimierz Sie...
Merge branch 'adasko' of mmka.chem.univ.gda.pl:unres...
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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
2013-08-31
Adam Kazimierz Sie...
wylaczenie diagnostyki
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commitdiff
2013-08-31
Adam Kazimierz Sie...
Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
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commitdiff
2013-08-31
Adam Kazimierz Sie...
zmiany w prereleasie drobne
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commitdiff
2013-08-23
Dawid Jagiela
Fix to use native system xdr headers
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commitdiff
2013-08-12
Adam Sieradzan
changes for DIMENSION for smaller size MEMory
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commitdiff
2013-08-08
Adam Sieradzan
Merge branch 'prerelease-3.2.1' of mmka:unres into...
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commitdiff
2013-08-07
Cezary Czaplewski
decrease of Max_Parm to 32 necessary for 4GB machine
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commitdiff
2013-08-07
Adam Sieradzan
merge...
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commitdiff
2013-08-07
Adam Sieradzan
usuniecie diagnostyki
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commitdiff
2013-07-25
Dawid Jagiela
test name changed for unres MD DFA version
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commitdiff
2013-07-25
Dawid Jagiela
test name changed for unres MD DFA version
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commitdiff
2013-07-25
Dawid Jagiela
Merge branch 'prerelease-3.2.1' into devel
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commitdiff
2013-07-25
Dawid Jagiela
Merge branch 'prerelease-3.2.1' into devel
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commitdiff
2013-07-25
Dawid Jagiela
fixed WHAM for gfortran: src/energy_p_new.F
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commitdiff
2013-07-25
Dawid Jagiela
fixed WHAM for gfortran: src/energy_p_new.F
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commitdiff
2013-07-16
Adam Sieradzan
NIE PEWNE ZMIANY ZWERYFIKUJ!!
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commitdiff
2013-06-28
Adam Kazimierz Sie...
Just few comments added to WHAM to clarify
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commitdiff
2013-06-28
Adam Kazimierz Sie...
Just few comments added to WHAM to clarify
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commitdiff
2013-06-28
Adam Kazimierz Sie...
Bugfix for SS wham and introduction SS to cluster analysis
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commitdiff
2013-06-28
Adam Kazimierz Sie...
Bugfix for SS wham and introduction SS to cluster analysis
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commitdiff
2013-06-25
Adam Kazimierz Sie...
Dodanie dynamic disulfide to WHAM
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commitdiff
2013-06-25
Adam Kazimierz Sie...
Dodanie dynamic disulfide to WHAM
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commitdiff
2013-05-07
Cezary Czaplewski
some corrections in xdrf2pdb-m for dyn_ss
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commitdiff
2013-05-07
Cezary Czaplewski
some corrections in xdrf2pdb-m for dyn_ss
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commitdiff
2013-04-30
Cezary Czaplewski
Merge branch 'prerelease-3.2.1' of mmka:unres into...
tree
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commitdiff
2013-04-30
Cezary Czaplewski
Merge branch 'prerelease-3.2.1' of mmka:unres into...
tree
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commitdiff
2013-04-30
Cezary Czaplewski
testing ssbond in cx
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commitdiff
2013-04-30
Cezary Czaplewski
testing ssbond in cx
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commitdiff
2013-04-15
Dawid Jagiela
changed SCCORPAR to shelly potentials in GAB & 12LY...
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commitdiff
2013-04-15
Dawid Jagiela
changed SCCORPAR to shelly potentials in GAB & 12LY...
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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
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commitdiff
2013-04-11
Dawid Jagiela
added REMD/MREMD input generation in UNRESInpGen.py
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commitdiff
2013-04-11
Dawid Jagiela
added REMD/MREMD input generation in UNRESInpGen.py
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commitdiff
2013-04-08
Cezary Czaplewski
correct writing of dyn_ss for cx and x
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commitdiff
2013-04-08
Cezary Czaplewski
correct writing of dyn_ss for cx and x
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commitdiff
2013-03-07
Dawid Jagiela
added OVERLAP and NOSEARCHSC options in UNRESInpGen.py
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commitdiff
2013-03-07
Dawid Jagiela
added OVERLAP and NOSEARCHSC options in UNRESInpGen.py
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commitdiff
2013-03-06
Dawid Jagiela
Added minimazation support to UNRESInpGen.py
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commitdiff
2013-03-06
Dawid Jagiela
Added minimazation support to UNRESInpGen.py
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commitdiff
2013-03-05
Dawid Jagiela
added glicyne support in show_UNRES.py
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commitdiff
2013-03-05
Dawid Jagiela
added glicyne support in show_UNRES.py
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commitdiff
2013-02-28
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
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commitdiff
2013-02-28
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
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commitdiff
2013-02-28
Dawid Jagiela
fixed ray-tracing bug and size of ellipoids in show_UNR...
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commitdiff
2013-02-28
Dawid Jagiela
fixed ray-tracing bug and size of ellipoids in show_UNR...
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