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added MPI ctest for unres single MD
[unres.git]
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source
/
unres
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2012-06-05
Dawid Jagiela
added MPI ctest for unres single MD
tree
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commitdiff
2012-05-27
Dawid Jagiela
compile_definitions workaround (cmake does not pass...
tree
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commitdiff
2012-05-26
Dawid Jagiela
added header for proc_proc.c
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
void cast on fgets & fscanf in compinfo.c
tree
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commitdiff
2012-05-26
Dawid Jagiela
compinfo.c warning supresion
tree
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commitdiff
2012-05-18
Cezary Czaplewski
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2012-05-18
Cezary Czaplewski
an example for MIN only version of unres, corrected...
tree
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commitdiff
2012-05-18
Dawid Jagiela
Merge branch 'feature-cmake' into devel
tree
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commitdiff
2012-05-16
Dawid Jagiela
added CMake files to build cluster/wham/src-M
tree
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commitdiff
2012-05-15
Dawid Jagiela
Added CMake files for building source/wham/src-M
tree
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commitdiff
2012-05-14
Dawid Jagiela
ascii frames closed: unres/src_MD-M/energy_p_new_barr...
tree
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commitdiff
2012-05-14
Dawid Jagiela
1) ASCII art frame fix in unres/src_MD-M/energy_p_new_b...
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
2012-05-14
Dawid Jagiela
fixed more typos
tree
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commitdiff
2012-05-14
Dawid Jagiela
fixed typo
tree
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commitdiff
2012-05-14
Dawid Jagiela
prng_32.F/prng.f fix for intel compiler
tree
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commitdiff
2012-05-14
Dawid Jagiela
1) moved xdrf library to source/lib/xdrf - CMake files...
tree
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commitdiff
2012-05-13
Dawid Jagiela
linking pthreads for unres/src_MIN
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
2012-05-10
Dawid Jagiela
closing asci-art frames in energy_p_new_barrier.F files...
tree
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commitdiff
2012-05-10
Dawid Jagiela
fixes for unres/src_MIN build in ifort
tree
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commitdiff
2012-05-10
Dawid Jagiela
- added UNRES Multichain examples
tree
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commitdiff
2012-05-10
Dawid Jagiela
added 32/64-bit architecture detection
tree
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commitdiff
2012-05-10
Dawid Jagiela
deleted: source/unres/src_MD-M/xdrf_em64/libxdrf.m4~
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
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2012-05-09
Cezary Czaplewski
DFA is switched off by default
tree
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commitdiff
2012-05-08
Dawid Jagiela
fixed test_single_ala.sh to run binary from current...
tree
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commitdiff
2012-05-08
Dawid Jagiela
fixed "rm tmptmp" of notexisting file in compinfo.c
tree
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commitdiff
2012-05-07
Dawid Jagiela
new gfortran fix
tree
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commitdiff
2012-05-07
Dawid Jagiela
fixed ctest/cmake files for src_MD build
tree
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commitdiff
2012-04-23
Dawid Jagiela
Added test MPI preprocessor compile definitions
tree
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commitdiff
2012-04-19
Dawid Jagiela
Revert "Revert "CMake file for xdrf library""
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commitdiff
2012-04-19
Dawid Jagiela
Revert "CMake file for xdrf library"
tree
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commitdiff
2012-04-19
Dawid Jagiela
CMake file for xdrf library
tree
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commitdiff
2012-04-19
Dawid Jagiela
CMake project files added
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
2012-04-02
Adam Liwo
New files added
tree
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commitdiff
2012-04-02
Adam Liwo
Makefiles for specific compilers and force fields created
tree
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commitdiff
2012-03-29
Adam Liwo
Unnecessary object files removed
tree
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commitdiff
2012-03-29
Adam Liwo
Makefile_single_gfortran_oldparm corrected to include...
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
2012-03-28
Cezary Czaplewski
final changes to remove CSA from MD version of the...
tree
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commitdiff
2012-03-28
Cezary Czaplewski
removal of CSA from MD version of code
tree
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commitdiff
2012-03-28
Cezary Czaplewski
old unecessary files are deleted
tree
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commitdiff
2012-02-25
Dawid Jagieła
added source code
v.3.0
tree
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commitdiff