projects
/
unres.git
/ history
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅
next
Merge branch 'master' of mmka.chem.univ.gda.pl:unres
[unres.git]
/
source
/
unres
/
src_MD
/ CMakeLists.txt
2017-02-27
Cezary Czaplewski
ctest gfortran mpi correction
commit
|
commitdiff
2017-02-27
Cezary Czaplewski
ctest gfortran mpi correction
commit
|
commitdiff
2017-02-27
Cezary Czaplewski
ctest - more checkgrad tests added
commit
|
commitdiff
2017-02-27
Cezary Czaplewski
ctest - more checkgrad tests added
commit
|
commitdiff
2017-02-27
Cezary Czaplewski
checkgrad added to ctest
commit
|
commitdiff
2017-02-27
Cezary Czaplewski
checkgrad added to ctest
commit
|
commitdiff
2016-05-17
Cezary Czaplewski
cmake changes for pgf90
commit
|
commitdiff
2016-05-17
Cezary Czaplewski
cmake changes for pgf90
commit
|
commitdiff
2016-04-28
Cezary Czaplewski
ctest -DUNRES_MPIRUN=1 for tryton
commit
|
commitdiff
2016-04-28
Cezary Czaplewski
ctest -DUNRES_MPIRUN=1 for tryton
commit
|
commitdiff
2016-04-25
Cezary Czaplewski
ctest on cray with srun
commit
|
commitdiff
2016-04-25
Cezary Czaplewski
ctest on cray with srun
commit
|
commitdiff
2016-04-18
Cezary Czaplewski
ctest works with lam mpi
commit
|
commitdiff
2016-04-18
Cezary Czaplewski
ctest works with lam mpi
commit
|
commitdiff
2016-03-24
Cezary Czaplewski
ctest the first static disulfide test ene/min cart
commit
|
commitdiff
2016-03-24
Cezary Czaplewski
ctest the first static disulfide test ene/min cart
commit
|
commitdiff
2016-03-15
Cezary Czaplewski
ctest added ene tests with FGPROCS=1
commit
|
commitdiff
2016-03-15
Cezary Czaplewski
ctest added ene tests with FGPROCS=1
commit
|
commitdiff
2016-03-12
Cezary Czaplewski
ctest ENE changed to minimize unres_pdb structure
commit
|
commitdiff
2016-03-12
Cezary Czaplewski
ctest ENE changed to minimize unres_pdb structure
commit
|
commitdiff
2016-03-09
Cezary Czaplewski
ctest corrections to mpi script and remd test
commit
|
commitdiff
2016-03-09
Cezary Czaplewski
ctest corrections to mpi script and remd test
commit
|
commitdiff
2016-03-09
Cezary Czaplewski
ctest for remd
commit
|
commitdiff
2016-03-09
Cezary Czaplewski
ctest for remd
commit
|
commitdiff
2016-03-08
Cezary Czaplewski
ctest for thermostats: Langevin, Nose-Hoover and Berendsen
commit
|
commitdiff
2016-03-08
Cezary Czaplewski
ctest for thermostats: Langevin, Nose-Hoover and Berendsen
commit
|
commitdiff
2016-03-02
Cezary Czaplewski
ctest works with lam and mpich
commit
|
commitdiff
2016-03-02
Cezary Czaplewski
ctest works with lam and mpich
commit
|
commitdiff
2016-03-02
Cezary Czaplewski
ctest for internal coordinates and regular minimization
commit
|
commitdiff
2016-03-02
Cezary Czaplewski
ctest for internal coordinates and regular minimization
commit
|
commitdiff
2016-02-29
Cezary Czaplewski
ctest for minimization and microcanonical MD
commit
|
commitdiff
2016-02-29
Cezary Czaplewski
ctest for minimization and microcanonical MD
commit
|
commitdiff
2016-02-29
Cezary Czaplewski
correction to previous commit CTEST_FULL_OUTPUT
commit
|
commitdiff
2016-02-29
Cezary Czaplewski
correction to previous commit CTEST_FULL_OUTPUT
commit
|
commitdiff
2016-02-29
Cezary Czaplewski
added echo CTEST_FULL_OUTPUT (Avoid ctest truncation...
commit
|
commitdiff
2016-02-29
Cezary Czaplewski
added echo CTEST_FULL_OUTPUT (Avoid ctest truncation...
commit
|
commitdiff
2016-02-29
Cezary Czaplewski
ctest for E0LL2Y with MPI now using FGPROCS=2
commit
|
commitdiff
2016-02-29
Cezary Czaplewski
ctest for E0LL2Y with MPI now using FGPROCS=2
commit
|
commitdiff
2016-02-29
Cezary Czaplewski
ctest for E0LL2Y with reference energy diff
commit
|
commitdiff
2016-02-29
Cezary Czaplewski
ctest for E0LL2Y with reference energy diff
commit
|
commitdiff
2015-05-07
Cezary Czaplewski
adding in cmake UNRES_MD_FF = 4P for src_MD and src_MD-M
commit
|
commitdiff
2015-05-07
Cezary Czaplewski
adding in cmake UNRES_MD_FF = 4P for src_MD and src_MD-M
commit
|
commitdiff
2015-05-07
Cezary Czaplewski
fixed binary names for cmake and make
commit
|
commitdiff
2015-05-07
Cezary Czaplewski
fixed binary names for cmake and make
commit
|
commitdiff
2015-05-06
Dawid Jagiela
fixed install binary paths
commit
|
commitdiff
2015-05-06
Dawid Jagiela
fixed install binary paths
commit
|
commitdiff
2015-02-16
Adam Sieradzan
Poprawiony src_MD-M gradient
commit
|
commitdiff
2015-02-16
Adam Sieradzan
Poprawiony src_MD-M gradient
commit
|
commitdiff
2015-02-11
Adam Sieradzan
intro of SCCOR into src_MIN
commit
|
commitdiff
2015-02-11
Adam Sieradzan
intro of SCCOR into src_MIN
commit
|
commitdiff
2014-11-05
Dawid Jagiela
ctest ala10 binary location fix
commit
|
commitdiff
2014-11-05
Dawid Jagiela
ctest ala10 binary location fix
commit
|
commitdiff
2014-10-27
Dawid Jagiela
1) binaries are compiled into /bin subdirectory of...
commit
|
commitdiff
2014-10-27
Dawid Jagiela
1) binaries are compiled into /bin subdirectory of...
commit
|
commitdiff
2014-10-26
Dawid Jagiela
switched to CMake FindMPI module in all source files...
commit
|
commitdiff
2014-10-26
Dawid Jagiela
switched to CMake FindMPI module in all source files...
commit
|
commitdiff
2014-10-26
Dawid Jagiela
added missing preprocessor flags for prng_32.F
commit
|
commitdiff
2014-10-26
Dawid Jagiela
added missing preprocessor flags for prng_32.F
commit
|
commitdiff
2014-10-25
Dawid Jagiela
prng.f unification
commit
|
commitdiff
2014-10-25
Dawid Jagiela
prng.f unification
commit
|
commitdiff
2013-02-16
Cezary Czaplewski
prng and not prng_32 for gfortran
commit
|
commitdiff
2013-02-16
Cezary Czaplewski
prng and not prng_32 for gfortran
commit
|
commitdiff
2013-02-16
Cezary Czaplewski
prng and not prng_32 for f95
commit
|
commitdiff
2013-02-16
Cezary Czaplewski
prng and not prng_32 for f95
commit
|
commitdiff
2013-02-16
Cezary Czaplewski
new SCCORPAR for ctest
commit
|
commitdiff
2013-02-16
Cezary Czaplewski
new SCCORPAR for ctest
commit
|
commitdiff
2013-02-15
Cezary Czaplewski
ss_dyn compiles with make and with cmake
commit
|
commitdiff
2013-02-15
Cezary Czaplewski
ss_dyn compiles with make and with cmake
commit
|
commitdiff
2012-11-23
Dawid Jagiela
gfortran legacy standard enforcement
commit
|
commitdiff
2012-11-23
Dawid Jagiela
gfortran legacy standard enforcement
commit
|
commitdiff
2012-10-31
Dawid Jagiela
CMake makro cinfo.f fix
commit
|
commitdiff
2012-10-31
Dawid Jagiela
CMake makro cinfo.f fix
commit
|
commitdiff
2012-10-17
Adam Kazimierz Sie...
Poprawka w Cmakelist
commit
|
commitdiff
2012-10-17
Adam Kazimierz Sie...
Poprawka w Cmakelist
commit
|
commitdiff
2012-07-19
Dawid Jagiela
cinfo.f generation and macro for unres MD
commit
|
commitdiff
2012-07-19
Dawid Jagiela
cinfo.f generation and macro for unres MD
commit
|
commitdiff
2012-06-20
Dawid Jagiela
LAM/MPI boot ctest modification
commit
|
commitdiff
2012-06-20
Dawid Jagiela
LAM/MPI boot ctest modification
commit
|
commitdiff
2012-06-11
Dawid Jagiela
fix of xdrf2ang
commit
|
commitdiff
2012-06-11
Dawid Jagiela
fix of xdrf2ang
commit
|
commitdiff
2012-06-08
Dawid Jagiela
added ctest/1LE1_mremd_MD000.cx for xdrf2pdb-m testing
commit
|
commitdiff
2012-06-08
Dawid Jagiela
added ctest/1LE1_mremd_MD000.cx for xdrf2pdb-m testing
commit
|
commitdiff
2012-06-05
Dawid Jagiela
UNRES single MD for MPI ctest file permissions fix
commit
|
commitdiff
2012-06-05
Dawid Jagiela
UNRES single MD for MPI ctest file permissions fix
commit
|
commitdiff
2012-06-05
Dawid Jagiela
added MPI ctest for unres single MD
commit
|
commitdiff
2012-06-05
Dawid Jagiela
added MPI ctest for unres single MD
commit
|
commitdiff
2012-05-16
Dawid Jagiela
added CMake files to build cluster/wham/src-M
commit
|
commitdiff
2012-05-16
Dawid Jagiela
added CMake files to build cluster/wham/src-M
commit
|
commitdiff
2012-05-14
Dawid Jagiela
added cmake files to build source/wham/src under ifort
commit
|
commitdiff
2012-05-14
Dawid Jagiela
added cmake files to build source/wham/src under ifort
commit
|
commitdiff
2012-05-14
Dawid Jagiela
fixed more typos
commit
|
commitdiff
2012-05-14
Dawid Jagiela
fixed more typos
commit
|
commitdiff
2012-05-14
Dawid Jagiela
fixed typo
commit
|
commitdiff
2012-05-14
Dawid Jagiela
fixed typo
commit
|
commitdiff
2012-05-14
Dawid Jagiela
prng_32.F/prng.f fix for intel compiler
commit
|
commitdiff
2012-05-14
Dawid Jagiela
prng_32.F/prng.f fix for intel compiler
commit
|
commitdiff
2012-05-14
Dawid Jagiela
1) moved xdrf library to source/lib/xdrf - CMake files...
commit
|
commitdiff
2012-05-14
Dawid Jagiela
1) moved xdrf library to source/lib/xdrf - CMake files...
commit
|
commitdiff
2012-05-11
Dawid Jagiela
added/modified CMake files for all subdirs in source...
commit
|
commitdiff
2012-05-11
Dawid Jagiela
added/modified CMake files for all subdirs in source...
commit
|
commitdiff
next