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1) binaries are compiled into /bin subdirectory of build directory
[unres.git]
/
source
/
unres
/
src_MD
/
2014-10-27
Dawid Jagiela
1) binaries are compiled into /bin subdirectory of...
tree
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commitdiff
2014-10-26
Dawid Jagiela
switched to CMake FindMPI module in all source files...
tree
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commitdiff
2014-10-26
Dawid Jagiela
added missing preprocessor flags for prng_32.F
tree
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commitdiff
2014-10-25
Dawid Jagiela
prng.f unification
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 1
tree
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commitdiff
2013-08-31
Adam Kazimierz Sie...
wylaczenie diagnostyki
tree
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commitdiff
2013-08-31
Adam Kazimierz Sie...
zmiany w prereleasie drobne
tree
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commitdiff
2013-05-07
Cezary Czaplewski
some corrections in xdrf2pdb-m for dyn_ss
tree
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commitdiff
2013-04-08
Cezary Czaplewski
correct writing of dyn_ss for cx and x
tree
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commitdiff
2013-02-19
Cezary Czaplewski
dyn_ss and other finegrain printout cleaning
tree
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commitdiff
2013-02-18
Cezary Czaplewski
dynamic dissulfides with finegrain parallelization...
tree
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commitdiff
2013-02-18
Cezary Czaplewski
dynamic dissulfides with finegrain parallelization
tree
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commitdiff
2013-02-18
Adam Liwo
8/11/12 by Adam: fixed disulfide bridge problems
tree
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commitdiff
2013-02-18
Cezary Czaplewski
compilation only
tree
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commitdiff
2013-02-17
Adam Liwo
Fixed the addition of dummy chain ends to structures...
tree
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commitdiff
2013-02-17
Cezary Czaplewski
dyn_ss writing pdb and ihpb cleaning
tree
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commitdiff
2013-02-16
Cezary Czaplewski
no type declaration in common
tree
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commitdiff
2013-02-16
Cezary Czaplewski
classical Makefile cleaning
tree
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commitdiff
2013-02-16
Cezary Czaplewski
prng and not prng_32 for gfortran
tree
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commitdiff
2013-02-16
Cezary Czaplewski
prng and not prng_32 for f95
tree
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commitdiff
2013-02-16
Cezary Czaplewski
new SCCORPAR for ctest
tree
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commitdiff
2013-02-16
Cezary Czaplewski
common reorder to avoid padding in gfortran
tree
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commitdiff
2013-02-15
Cezary Czaplewski
dynamic disulfides are working again in md
tree
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commitdiff
2013-02-15
Cezary Czaplewski
adding ename to statout with PRINT_COMPON
tree
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commitdiff
2013-02-15
Cezary Czaplewski
MULTCONF is working now
tree
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commitdiff
2013-02-15
Cezary Czaplewski
error message when reading SCCOR corrected
tree
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commitdiff
2013-02-15
Cezary Czaplewski
ss_dyn compiles with make and with cmake
tree
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commitdiff
2013-02-15
Cezary Czaplewski
dynamic SS from old Maurizio's code
tree
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes in initialize_p.F for MPI
tree
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commitdiff
2012-11-23
Dawid Jagiela
some gfortran warning fixes
tree
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commitdiff
2012-11-23
Dawid Jagiela
gfortran legacy standard enforcement
tree
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commitdiff
2012-11-05
Dawid Jagiela
alignment fix in src_MD COMMON.SCCOR
tree
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commitdiff
2012-11-05
Dawid Jagiela
alignment fixes in src_MD COMMONs
tree
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commitdiff
2012-10-31
Dawid Jagiela
CMake makro cinfo.f fix
tree
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commitdiff
2012-10-17
Adam Kazimierz Sie...
Poprawka w Cmakelist
tree
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commitdiff
2012-10-17
Adam Liwo
Merge branch 'adam' into devel
tree
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commitdiff
2012-10-17
Adam Liwo
Commit 10/17/12 Adam
tree
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commitdiff
2012-09-20
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2012-09-20
Adam Liwo
Update
tree
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commitdiff
2012-07-19
Dawid Jagiela
cinfo.f generation and macro for unres MD
tree
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commitdiff
2012-07-18
Adam Liwo
Merge branch 'devel' into adam
tree
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commitdiff
2012-07-18
Adam Liwo
Implement minor changes on branch adam
tree
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commitdiff
2012-07-18
Adam Kazimierz Sie...
Revert "Merge branch 'adasko' into devel"
tree
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commitdiff
2012-07-17
Adam Kazimierz Sie...
Merge branch 'adasko' into devel
tree
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commitdiff
2012-07-17
Adam Kazimierz Sie...
D i L aminokwasy dzialajace dla src_MD
tree
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commitdiff
2012-07-09
Adam Kazimierz Sie...
D i L aminokwasy tuz przed testami
tree
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commitdiff
2012-07-06
Adam Kazimierz Sie...
zmiana do DiL
tree
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commitdiff
2012-07-05
Adam Liwo
Merge branch 'adam' into devel
tree
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commitdiff
2012-07-05
Adam Liwo
Minor change
tree
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commitdiff
2012-07-05
Adam Liwo
Minor change
tree
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commitdiff
2012-07-05
Adam Kazimierz Sie...
zmiana binarki...
tree
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commitdiff
2012-07-05
Adam Liwo
Merge branch 'adam' into devel
tree
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commitdiff
2012-07-05
Adam Liwo
5/7/2012 by Adam
tree
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commitdiff
2012-07-05
Adam Kazimierz Sie...
DIL zmiana w param read
tree
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commitdiff
2012-07-05
Adam Kazimierz Sie...
hotfix of SCCOR potentials
tree
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commitdiff
2012-07-05
Adam Kazimierz Sie...
hotfix do potencjalow AM1
tree
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commitdiff
2012-07-05
Adam Kazimierz Sie...
Rozgrzebany DIL
tree
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commitdiff
2012-06-27
Adam Kazimierz Sie...
Merge branch 'adasko' into devel
tree
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commitdiff
2012-06-27
Adam Kazimierz Sie...
Wprowadzenie SCCOR do WHAMa i CLUSTROWNIA
tree
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commitdiff
2012-06-20
Dawid Jagiela
LAM/MPI boot ctest modification
tree
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commitdiff
2012-06-18
Dawid Jagiela
resolving merge conflicts
tree
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commitdiff
2012-06-18
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2012-06-18
Adam Liwo
Merge branch 'adam' into devel
tree
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commitdiff
2012-06-18
Dawid Jagiela
fixed indent for gfortran build in source/unres/src_MD...
tree
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commitdiff
2012-06-18
Adam Kazimierz Sie...
Merge branch 'adasko' into devel
tree
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commitdiff
2012-06-18
Adam Kazimierz Sie...
zmiany po usunieciu diagnostyki...
tree
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commitdiff
2012-06-15
Adam Kazimierz Sie...
dzialajacy grad check....
tree
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commitdiff
2012-06-14
Adam Liwo
6/14/12 by Adam - changes committed
tree
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commitdiff
2012-06-14
Adam Liwo
6/14/2012 by Adam
tree
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commitdiff
2012-06-14
Adam Kazimierz Sie...
Dzialajacy INTERTYP=1 i INTERTYP=2
tree
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commitdiff
2012-06-11
Adam Liwo
6/11/2012 by Adam
tree
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commitdiff
2012-06-11
Dawid Jagiela
fix of xdrf2ang
tree
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commitdiff
2012-06-11
Adam Liwo
6/11/2012 Changes of the CSA version
tree
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commitdiff
2012-06-11
Adam Liwo
6/11/2012 Update of the CSA version
tree
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commitdiff
2012-06-08
Dawid Jagiela
added ctest/1LE1_mremd_MD000.cx for xdrf2pdb-m testing
tree
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commitdiff
2012-06-05
Dawid Jagiela
UNRES single MD for MPI ctest file permissions fix
tree
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commitdiff
2012-06-05
Adam Kazimierz Sie...
UDALO SIE TERAZ DEBUG
tree
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commitdiff
2012-06-05
Dawid Jagiela
added MPI ctest for unres single MD
tree
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commitdiff
2012-05-29
Adam Kazimierz Sie...
kolejna
tree
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commitdiff
2012-05-29
Adam Kazimierz Sie...
zmienionwe zostaly i zostal chyba tylko int to cart...
tree
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commitdiff
2012-05-29
Adam Kazimierz Sie...
sadas
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
2012-05-16
Dawid Jagiela
added CMake files to build cluster/wham/src-M
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
Adam Liwo
5/13/2012 by Adam
tree
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commitdiff
2012-05-13
Adam Liwo
5/13/2012 by Adam
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
- 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
Adam Liwo
5/10/2012 by Adam
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
2012-05-08
Dawid Jagiela
fixed test_single_ala.sh to run binary from current...
tree
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commitdiff
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