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unres.git
2012-05-10
Dawid Jagiela
added piasek cluster specific compile conditioning...
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2012-05-10
Dawid Jagiela
closing asci-art frames in energy_p_new_barrier.F files...
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2012-05-10
Dawid Jagiela
fixes for unres/src_MIN build in ifort
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2012-05-10
Dawid Jagiela
- added UNRES Multichain examples
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2012-05-10
Dawid Jagiela
added 32/64-bit architecture detection
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2012-05-10
Dawid Jagiela
deleted: source/unres/src_MD-M/xdrf_em64/libxdrf.m4~
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2012-05-10
Adam Liwo
5/10/2012 by Adam
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2012-05-09
Dawid Jagiela
src_MD-M CMake build files + junkfiles cleanup
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2012-05-09
Cezary Czaplewski
compilation of DFA/CSA code
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2012-05-09
Cezary Czaplewski
Merge branch 'devel' of mmka:unres into devel
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2012-05-09
Cezary Czaplewski
DFA is switched off by default
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2012-05-08
Dawid Jagiela
deleted: CTestConfig.cmake
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2012-05-08
Dawid Jagiela
fixed test_single_ala.sh to run binary from current...
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2012-05-08
Dawid Jagiela
fixed "rm tmptmp" of notexisting file in compinfo.c
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2012-05-08
Dawid Jagiela
fixed drop side on CTestConfig.cmake
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2012-05-08
Dawid Jagiela
gfortran 4.5.2 (f95) compile definitions fix
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2012-05-07
Dawid Jagiela
new gfortran fix
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2012-05-07
Dawid Jagiela
fixed ctest/cmake files for src_MD build
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2012-04-23
Dawid Jagiela
Added test MPI preprocessor compile definitions
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2012-04-19
Dawid Jagiela
Revert "Revert "CMake file for xdrf library""
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2012-04-19
Dawid Jagiela
Revert "CMake file for xdrf library"
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2012-04-19
Dawid Jagiela
CMake file for xdrf library
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2012-04-19
Dawid Jagiela
CMake project files added
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2012-04-11
Cezary Czaplewski
minimization in csa code is working now correctly
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2012-04-04
Cezary Czaplewski
tag updated to v.3.1
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2012-04-03
Dawid Jagieła
updated Changelog
v.3.1
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2012-04-03
Dawid Jagieła
Added Changelog
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2012-04-02
Adam Liwo
New files added
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2012-04-02
Adam Liwo
Makefiles for specific compilers and force fields created
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2012-03-29
Dawid Jagiela
even more verbose swaping log
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2012-03-29
Adam Liwo
Added example files (1L2Y)
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2012-03-29
Adam Liwo
Example input files for 1L2Y added
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2012-03-29
Adam Liwo
Unnecessary object files removed
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2012-03-29
Adam Liwo
Makefile_single_gfortran_oldparm corrected to include...
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2012-03-29
Dawid Jagiela
more verbose swaping in bank
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2012-03-28
Cezary Czaplewski
path for executable corrected
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2012-03-28
Cezary Czaplewski
compilation of new CSA version
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2012-03-28
Cezary Czaplewski
new files for tmscore and reminimization
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2012-03-28
Cezary Czaplewski
cleaning - unecessary files deleted
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2012-03-28
Cezary Czaplewski
final changes to remove CSA from MD version of the...
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2012-03-28
Cezary Czaplewski
removal of CSA from MD version of code
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2012-03-28
Cezary Czaplewski
old unecessary files are deleted
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2012-03-21
Adam Liwo
xdrf2pdb-M.F: corrected order of reading
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2012-03-21
Adam Liwo
plik1 deleted by Adam
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2012-03-21
Dawid Jagieła
dodalem pusty plik
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2012-03-14
Dawid Jagiela
csacutoff fix
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2012-03-13
Dawid Jagiela
1) csacutoff log write fix 2) matrix input-template...
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2012-03-12
Dawid Jagiela
Merge branch 'feature-ga' of mmka.chem.univ.gda.pl...
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2012-03-12
Dawid Jagiela
modified Makefile for testing single peptide runs
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2012-03-12
Dawid Jagiela
Merge branch 'feature-ga' of mmka:unres into feature-ga
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2012-03-12
Dawid Jagiela
csacutoff is now calculated from avrage distance (avrd...
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2012-03-09
Dawid Jagiela
1) code cleanup 2) added CalcAvgDist function
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2012-03-07
Dawid Jagiela
- added input files for 2 peptides (1LE1, 1LY2) runs...
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2012-03-07
Dawid Jagiela
linear csacutoff fix
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2012-03-07
Dawid Jagiela
extended scope of search in GetNBest function
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2012-03-07
Dawid Jagiela
modified: GA.f
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2012-02-28
Dawid Jagiela
added Genetic Algorythm code in branch feature-ga
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2012-02-25
Dawid Jagieła
added source code
v.3.0
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