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error message when reading SCCOR corrected
[unres.git]
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source
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unres
/
src_MD
/
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
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commitdiff
2012-11-23
Dawid Jagiela
gfortran legacy standard enforcement
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commitdiff
2012-11-05
Dawid Jagiela
alignment fix in src_MD COMMON.SCCOR
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commitdiff
2012-11-05
Dawid Jagiela
alignment fixes in src_MD COMMONs
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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
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commitdiff
2012-10-17
Adam Liwo
Merge branch 'adam' into devel
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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
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commitdiff
2012-07-19
Dawid Jagiela
cinfo.f generation and macro for unres MD
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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
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commitdiff
2012-07-09
Adam Kazimierz Sie...
D i L aminokwasy tuz przed testami
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commitdiff
2012-07-06
Adam Kazimierz Sie...
zmiana do DiL
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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
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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...
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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
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commitdiff
2012-07-05
Adam Kazimierz Sie...
hotfix of SCCOR potentials
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commitdiff
2012-07-05
Adam Kazimierz Sie...
hotfix do potencjalow AM1
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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
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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
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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
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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....
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commitdiff
2012-06-14
Adam Liwo
6/14/12 by Adam - changes committed
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commitdiff
2012-06-14
Adam Liwo
6/14/2012 by Adam
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commitdiff
2012-06-14
Adam Kazimierz Sie...
Dzialajacy INTERTYP=1 i INTERTYP=2
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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
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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
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commitdiff
2012-06-08
Dawid Jagiela
added ctest/1LE1_mremd_MD000.cx for xdrf2pdb-m testing
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commitdiff
2012-06-05
Dawid Jagiela
UNRES single MD for MPI ctest file permissions fix
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commitdiff
2012-06-05
Adam Kazimierz Sie...
UDALO SIE TERAZ DEBUG
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commitdiff
2012-06-05
Dawid Jagiela
added MPI ctest for unres single MD
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commitdiff
2012-05-29
Adam Kazimierz Sie...
kolejna
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commitdiff
2012-05-29
Adam Kazimierz Sie...
zmienionwe zostaly i zostal chyba tylko int to cart...
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commitdiff
2012-05-29
Adam Kazimierz Sie...
sadas
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commitdiff
2012-05-26
Dawid Jagiela
EOF warning fix
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commitdiff
2012-05-26
Dawid Jagiela
compinfo.c rewrite
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commitdiff
2012-05-26
Dawid Jagiela
void cast on fgets & fscanf in compinfo.c
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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
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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
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commitdiff
2012-05-14
Dawid Jagiela
fixed typo
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commitdiff
2012-05-14
Dawid Jagiela
prng_32.F/prng.f fix for intel compiler
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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
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commitdiff
2012-05-13
Adam Liwo
5/13/2012 by Adam
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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
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commitdiff
2012-05-10
Dawid Jagiela
added 32/64-bit architecture detection
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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
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
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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"
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commitdiff
2012-04-19
Dawid Jagiela
CMake file for xdrf library
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commitdiff
2012-04-19
Dawid Jagiela
CMake project files added
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commitdiff
2012-04-02
Adam Liwo
New files added
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commitdiff
2012-04-02
Adam Liwo
Makefiles for specific compilers and force fields created
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commitdiff
2012-03-29
Adam Liwo
Unnecessary object files removed
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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
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
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commitdiff
2012-03-28
Cezary Czaplewski
old unecessary files are deleted
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commitdiff
2012-02-25
Dawid Jagieła
added source code
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commitdiff