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Merge branch 'master' of mmka.chem.univ.gda.pl:unres into homology
[unres.git]
/
source
/
unres
/
src_MD-M
/
2015-02-16
Adam Sieradzan
Poprawiony src_MD-M gradient
tree
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commitdiff
2015-01-24
Adam Liwo
Corrected refsys.f in src_MD-M
tree
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commitdiff
2015-01-23
Adam Liwo
refsys
tree
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commitdiff
2015-01-23
Adam Liwo
Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
tree
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commitdiff
2015-01-23
Adam Liwo
Corrected refsys.f in src_MD-M
tree
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commitdiff
2015-01-22
Adam Sieradzan
Merge branch 'prerelease-3.2.1' of mmka:unres into...
tree
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commitdiff
2015-01-19
Adam Sieradzan
dzialajacy wham+poprawka w funckji energi+ poprawka...
tree
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commitdiff
2015-01-08
Cezary Czaplewski
Makefiles for mpich2 and some corrections to Makefiles
tree
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commitdiff
2015-01-05
Adam Liwo
Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
tree
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commitdiff
2015-01-05
Adam Liwo
Added cinfo
tree
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commitdiff
2015-01-05
Adam Liwo
MREMD corrected; Langevin mode (bcast instead of scatte...
tree
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commitdiff
2015-01-04
Adam Sieradzan
Naprawienie wham'a oraz wprowadzenie SCcorr do CSA
tree
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commitdiff
2014-12-30
Adam Sieradzan
wprowadzenie do multichaina SCcorr
tree
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commitdiff
2014-12-19
Adam Sieradzan
debug w poszukiwaniu bledu w ostatniej reszcie
tree
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commitdiff
2014-12-18
Adam Kazimierz Sie...
Wprowadzenie SCCOR dla wham-M
tree
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commitdiff
2014-12-17
Adam Kazimierz Sie...
Poprawiony SCR_MD-M i dzialajacy
tree
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commitdiff
2014-12-17
Adam Kazimierz Sie...
Wprowadznie potencjalow SC-COR do multichain oraz ich...
tree
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commitdiff
2014-12-11
Adam Liwo
Created binaries and fixed bugs when compiling single...
tree
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commitdiff
2014-11-28
Adam Liwo
Trying to bring files - continued
tree
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commitdiff
2014-11-27
Adam Liwo
Fixed Makefiles, handle all force fields thru appropria...
tree
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commitdiff
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
2014-10-14
Dawid Jagieła
fixed CMake variable typo
tree
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commitdiff
2013-09-02
Cezary Czaplewski
dynamic disulfides in multichain
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commitdiff
2013-02-18
Adam Liwo
8/11/12 by Adam: fixed disulfide bridge problems
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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
2013-02-16
Cezary Czaplewski
no type declaration in common
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commitdiff
2013-02-16
Cezary Czaplewski
src_MD-M compiles with old Makefile and common sccor...
tree
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commitdiff
2013-02-14
Cezary Czaplewski
compilation only
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes in local_move.f, energy_p_new.F & initia...
tree
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commitdiff
2012-11-23
Dawid Jagiela
gfortran foxes in src_CSA/energy_p_new_barrier.F, src_C...
tree
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes for src_MD-M
tree
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commitdiff
2012-11-23
Dawid Jagiela
fix 80 column in initialize_p.F
tree
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes in initialize_p.F for src_MD-M
tree
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commitdiff
2012-11-23
Dawid Jagiela
alignment fixes in COMMON.CHAIN for src_MD-M
tree
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commitdiff
2012-11-23
Dawid Jagiela
force legacy standard for gfortran
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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
2012-08-20
Dawid Jagiela
1. cmake cinfo.f generation for all sources 2. deleted...
tree
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commitdiff
2012-07-19
Dawid Jagiela
cinfo.f generation and macro for unres MD
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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
2012-06-14
Adam Liwo
6/14/2012 by Adam
tree
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commitdiff
2012-05-27
Dawid Jagiela
compile_definitions workaround (cmake does not pass...
tree
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commitdiff
2012-05-26
Dawid Jagiela
added header for proc_proc.c
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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
tree
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commitdiff
2012-05-26
Dawid Jagiela
compinfo.c warning supresion
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commitdiff
2012-05-14
Dawid Jagiela
ascii frames closed: unres/src_MD-M/energy_p_new_barr...
tree
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commitdiff
2012-05-14
Dawid Jagiela
1) ASCII art frame fix in unres/src_MD-M/energy_p_new_b...
tree
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commitdiff
2012-05-14
Dawid Jagiela
fixed more typos
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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...
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commitdiff
2012-05-12
Dawid Jagiela
modified: energy_p_new_barrier.F - closed ascii art...
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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
- 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
Dawid Jagiela
deleted: source/unres/src_MD-M/xdrf_em64/libxdrf.m4~
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commitdiff
2012-05-09
Dawid Jagiela
src_MD-M CMake build files + junkfiles cleanup
tree
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commitdiff
2012-02-25
Dawid Jagieła
added source code
v.3.0
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commitdiff