Merge branch 'master' of mmka.chem.univ.gda.pl:unres
[unres.git] / source / unres / src_MD / CMakeLists.txt
2017-02-27 Cezary Czaplewskictest gfortran mpi correction
2017-02-27 Cezary Czaplewskictest gfortran mpi correction
2017-02-27 Cezary Czaplewskictest - more checkgrad tests added
2017-02-27 Cezary Czaplewskictest - more checkgrad tests added
2017-02-27 Cezary Czaplewskicheckgrad added to ctest
2017-02-27 Cezary Czaplewskicheckgrad added to ctest
2016-05-17 Cezary Czaplewskicmake changes for pgf90
2016-05-17 Cezary Czaplewskicmake changes for pgf90
2016-04-28 Cezary Czaplewskictest -DUNRES_MPIRUN=1 for tryton
2016-04-28 Cezary Czaplewskictest -DUNRES_MPIRUN=1 for tryton
2016-04-25 Cezary Czaplewskictest on cray with srun
2016-04-25 Cezary Czaplewskictest on cray with srun
2016-04-18 Cezary Czaplewskictest works with lam mpi
2016-04-18 Cezary Czaplewskictest works with lam mpi
2016-03-24 Cezary Czaplewskictest the first static disulfide test ene/min cart
2016-03-24 Cezary Czaplewskictest the first static disulfide test ene/min cart
2016-03-15 Cezary Czaplewskictest added ene tests with FGPROCS=1
2016-03-15 Cezary Czaplewskictest added ene tests with FGPROCS=1
2016-03-12 Cezary Czaplewskictest ENE changed to minimize unres_pdb structure
2016-03-12 Cezary Czaplewskictest ENE changed to minimize unres_pdb structure
2016-03-09 Cezary Czaplewskictest corrections to mpi script and remd test
2016-03-09 Cezary Czaplewskictest corrections to mpi script and remd test
2016-03-09 Cezary Czaplewskictest for remd
2016-03-09 Cezary Czaplewskictest for remd
2016-03-08 Cezary Czaplewskictest for thermostats: Langevin, Nose-Hoover and Berendsen
2016-03-08 Cezary Czaplewskictest for thermostats: Langevin, Nose-Hoover and Berendsen
2016-03-02 Cezary Czaplewskictest works with lam and mpich
2016-03-02 Cezary Czaplewskictest works with lam and mpich
2016-03-02 Cezary Czaplewskictest for internal coordinates and regular minimization
2016-03-02 Cezary Czaplewskictest for internal coordinates and regular minimization
2016-02-29 Cezary Czaplewskictest for minimization and microcanonical MD
2016-02-29 Cezary Czaplewskictest for minimization and microcanonical MD
2016-02-29 Cezary Czaplewskicorrection to previous commit CTEST_FULL_OUTPUT
2016-02-29 Cezary Czaplewskicorrection to previous commit CTEST_FULL_OUTPUT
2016-02-29 Cezary Czaplewskiadded echo CTEST_FULL_OUTPUT (Avoid ctest truncation...
2016-02-29 Cezary Czaplewskiadded echo CTEST_FULL_OUTPUT (Avoid ctest truncation...
2016-02-29 Cezary Czaplewskictest for E0LL2Y with MPI now using FGPROCS=2
2016-02-29 Cezary Czaplewskictest for E0LL2Y with MPI now using FGPROCS=2
2016-02-29 Cezary Czaplewskictest for E0LL2Y with reference energy diff
2016-02-29 Cezary Czaplewskictest for E0LL2Y with reference energy diff
2015-05-07 Cezary Czaplewskiadding in cmake UNRES_MD_FF = 4P for src_MD and src_MD-M
2015-05-07 Cezary Czaplewskiadding in cmake UNRES_MD_FF = 4P for src_MD and src_MD-M
2015-05-07 Cezary Czaplewskifixed binary names for cmake and make
2015-05-07 Cezary Czaplewskifixed binary names for cmake and make
2015-05-06 Dawid Jagielafixed install binary paths
2015-05-06 Dawid Jagielafixed install binary paths
2015-02-16 Adam SieradzanPoprawiony src_MD-M gradient
2015-02-16 Adam SieradzanPoprawiony src_MD-M gradient
2015-02-11 Adam Sieradzanintro of SCCOR into src_MIN
2015-02-11 Adam Sieradzanintro of SCCOR into src_MIN
2014-11-05 Dawid Jagielactest ala10 binary location fix
2014-11-05 Dawid Jagielactest ala10 binary location fix
2014-10-27 Dawid Jagiela1) binaries are compiled into /bin subdirectory of...
2014-10-27 Dawid Jagiela1) binaries are compiled into /bin subdirectory of...
2014-10-26 Dawid Jagielaswitched to CMake FindMPI module in all source files...
2014-10-26 Dawid Jagielaswitched to CMake FindMPI module in all source files...
2014-10-26 Dawid Jagielaadded missing preprocessor flags for prng_32.F
2014-10-26 Dawid Jagielaadded missing preprocessor flags for prng_32.F
2014-10-25 Dawid Jagielaprng.f unification
2014-10-25 Dawid Jagielaprng.f unification
2013-02-16 Cezary Czaplewskiprng and not prng_32 for gfortran
2013-02-16 Cezary Czaplewskiprng and not prng_32 for gfortran
2013-02-16 Cezary Czaplewski prng and not prng_32 for f95
2013-02-16 Cezary Czaplewski prng and not prng_32 for f95
2013-02-16 Cezary Czaplewskinew SCCORPAR for ctest
2013-02-16 Cezary Czaplewskinew SCCORPAR for ctest
2013-02-15 Cezary Czaplewskiss_dyn compiles with make and with cmake
2013-02-15 Cezary Czaplewskiss_dyn compiles with make and with cmake
2012-11-23 Dawid Jagielagfortran legacy standard enforcement
2012-11-23 Dawid Jagielagfortran legacy standard enforcement
2012-10-31 Dawid JagielaCMake makro cinfo.f fix
2012-10-31 Dawid JagielaCMake makro cinfo.f fix
2012-10-17 Adam Kazimierz Sie... Poprawka w Cmakelist
2012-10-17 Adam Kazimierz Sie... Poprawka w Cmakelist
2012-07-19 Dawid Jagielacinfo.f generation and macro for unres MD
2012-07-19 Dawid Jagielacinfo.f generation and macro for unres MD
2012-06-20 Dawid JagielaLAM/MPI boot ctest modification
2012-06-20 Dawid JagielaLAM/MPI boot ctest modification
2012-06-11 Dawid Jagielafix of xdrf2ang
2012-06-11 Dawid Jagielafix of xdrf2ang
2012-06-08 Dawid Jagielaadded ctest/1LE1_mremd_MD000.cx for xdrf2pdb-m testing
2012-06-08 Dawid Jagielaadded ctest/1LE1_mremd_MD000.cx for xdrf2pdb-m testing
2012-06-05 Dawid JagielaUNRES single MD for MPI ctest file permissions fix
2012-06-05 Dawid JagielaUNRES single MD for MPI ctest file permissions fix
2012-06-05 Dawid Jagielaadded MPI ctest for unres single MD
2012-06-05 Dawid Jagielaadded MPI ctest for unres single MD
2012-05-16 Dawid Jagielaadded CMake files to build cluster/wham/src-M
2012-05-16 Dawid Jagielaadded CMake files to build cluster/wham/src-M
2012-05-14 Dawid Jagielaadded cmake files to build source/wham/src under ifort
2012-05-14 Dawid Jagielaadded cmake files to build source/wham/src under ifort
2012-05-14 Dawid Jagielafixed more typos
2012-05-14 Dawid Jagielafixed more typos
2012-05-14 Dawid Jagielafixed typo
2012-05-14 Dawid Jagielafixed typo
2012-05-14 Dawid Jagielaprng_32.F/prng.f fix for intel compiler
2012-05-14 Dawid Jagielaprng_32.F/prng.f fix for intel compiler
2012-05-14 Dawid Jagiela1) moved xdrf library to source/lib/xdrf - CMake files...
2012-05-14 Dawid Jagiela1) moved xdrf library to source/lib/xdrf - CMake files...
2012-05-11 Dawid Jagielaadded/modified CMake files for all subdirs in source...
2012-05-11 Dawid Jagielaadded/modified CMake files for all subdirs in source...
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