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revert DIMENSIONS corrected maxterm_sccor=6
[unres.git]
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source
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unres
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src_MD
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CMakeLists.txt
2016-03-09
Cezary Czaplewski
ctest corrections to mpi script and remd test
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2016-03-09
Cezary Czaplewski
ctest for remd
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diff to current
2016-03-08
Cezary Czaplewski
ctest for thermostats: Langevin, Nose-Hoover and Berendsen
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diff to current
2016-03-02
Cezary Czaplewski
ctest works with lam and mpich
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diff to current
2016-03-02
Cezary Czaplewski
ctest for internal coordinates and regular minimization
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diff to current
2016-02-29
Cezary Czaplewski
ctest for minimization and microcanonical MD
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diff to current
2016-02-29
Cezary Czaplewski
correction to previous commit CTEST_FULL_OUTPUT
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diff to current
2016-02-29
Cezary Czaplewski
added echo CTEST_FULL_OUTPUT (Avoid ctest truncation...
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2016-02-29
Cezary Czaplewski
ctest for E0LL2Y with MPI now using FGPROCS=2
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diff to current
2016-02-29
Cezary Czaplewski
ctest for E0LL2Y with reference energy diff
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diff to current
2015-05-07
Cezary Czaplewski
adding in cmake UNRES_MD_FF = 4P for src_MD and src_MD-M
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diff to current
2015-05-07
Cezary Czaplewski
fixed binary names for cmake and make
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2015-05-06
Dawid Jagiela
fixed install binary paths
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2015-02-16
Adam Sieradzan
Poprawiony src_MD-M gradient
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2015-02-11
Adam Sieradzan
intro of SCCOR into src_MIN
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2014-11-05
Dawid Jagiela
ctest ala10 binary location fix
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diff to current
2014-10-27
Dawid Jagiela
1) binaries are compiled into /bin subdirectory of...
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diff to current
2014-10-26
Dawid Jagiela
switched to CMake FindMPI module in all source files...
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diff to current
2014-10-26
Dawid Jagiela
added missing preprocessor flags for prng_32.F
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2014-10-25
Dawid Jagiela
prng.f unification
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diff to current
2013-02-16
Cezary Czaplewski
prng and not prng_32 for gfortran
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2013-02-16
Cezary Czaplewski
prng and not prng_32 for f95
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2013-02-16
Cezary Czaplewski
new SCCORPAR for ctest
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diff to current
2013-02-15
Cezary Czaplewski
ss_dyn compiles with make and with cmake
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2012-11-23
Dawid Jagiela
gfortran legacy standard enforcement
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diff to current
2012-10-31
Dawid Jagiela
CMake makro cinfo.f fix
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diff to current
2012-10-17
Adam Kazimierz Sie...
Poprawka w Cmakelist
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2012-07-19
Dawid Jagiela
cinfo.f generation and macro for unres MD
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diff to current
2012-06-20
Dawid Jagiela
LAM/MPI boot ctest modification
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diff to current
2012-06-11
Dawid Jagiela
fix of xdrf2ang
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diff to current
2012-06-08
Dawid Jagiela
added ctest/1LE1_mremd_MD000.cx for xdrf2pdb-m testing
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diff to current
2012-06-05
Dawid Jagiela
UNRES single MD for MPI ctest file permissions fix
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diff to current
2012-06-05
Dawid Jagiela
added MPI ctest for unres single MD
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diff to current
2012-05-16
Dawid Jagiela
added CMake files to build cluster/wham/src-M
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2012-05-14
Dawid Jagiela
added cmake files to build source/wham/src under ifort
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diff to current
2012-05-14
Dawid Jagiela
fixed more typos
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diff to current
2012-05-14
Dawid Jagiela
fixed typo
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diff to current
2012-05-14
Dawid Jagiela
prng_32.F/prng.f fix for intel compiler
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2012-05-14
Dawid Jagiela
1) moved xdrf library to source/lib/xdrf - CMake files...
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2012-05-11
Dawid Jagiela
added/modified CMake files for all subdirs in source...
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diff to current
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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diff to current
2012-05-09
Dawid Jagiela
src_MD-M CMake build files + junkfiles cleanup
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diff to current
2012-05-08
Dawid Jagiela
fixed test_single_ala.sh to run binary from current...
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diff to current
2012-05-07
Dawid Jagiela
new gfortran fix
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diff to current
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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diff to current
2012-04-19
Dawid Jagiela
Revert "CMake file for xdrf library"
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diff to current
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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diff to current