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corrections to cluster_wham
[unres.git]
/
source
/
2014-10-25
Dawid Jagiela
prng.f unification
tree
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commitdiff
2014-10-16
Dawid Jagiela
64-bit fix for unres/CSA and unres/CSA_DiL code
tree
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commitdiff
2014-10-14
Dawid Jagieła
Merge branch 'prerelease-3.2.1' of mmka:unres into...
tree
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commitdiff
2014-10-14
Dawid Jagieła
fixed CMake variable typo
tree
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commitdiff
2014-10-08
Cezary Czaplewski
correct default option for compilers in cluster CmakeLi...
tree
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commitdiff
2014-10-08
Cezary Czaplewski
correct default option for compilers in wham CmakeList.txt
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 1
tree
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commitdiff
2013-10-07
Adam Sieradzan
small correctian in wham
tree
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commitdiff
2013-09-02
Cezary Czaplewski
Merge branch 'prerelease-3.2.1' of mmka:unres into...
tree
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commitdiff
2013-09-02
Cezary Czaplewski
dynamic disulfides in multichain
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...
Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
tree
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commitdiff
2013-08-31
Adam Kazimierz Sie...
zmiany w prereleasie drobne
tree
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commitdiff
2013-08-12
Adam Sieradzan
changes for DIMENSION for smaller size MEMory
tree
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commitdiff
2013-08-08
Adam Sieradzan
Merge branch 'prerelease-3.2.1' of mmka:unres into...
tree
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commitdiff
2013-08-07
Cezary Czaplewski
decrease of Max_Parm to 32 necessary for 4GB machine
tree
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commitdiff
2013-08-07
Adam Sieradzan
merge...
tree
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commitdiff
2013-08-07
Adam Sieradzan
usuniecie diagnostyki
tree
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commitdiff
2013-07-25
Dawid Jagiela
fixed WHAM for gfortran: src/energy_p_new.F
tree
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commitdiff
2013-06-28
Adam Kazimierz Sie...
Just few comments added to WHAM to clarify
tree
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commitdiff
2013-06-28
Adam Kazimierz Sie...
Bugfix for SS wham and introduction SS to cluster analysis
tree
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commitdiff
2013-06-25
Adam Kazimierz Sie...
Dodanie dynamic disulfide to WHAM
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
2013-04-30
Cezary Czaplewski
Merge branch 'prerelease-3.2.1' of mmka:unres into...
tree
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commitdiff
2013-04-30
Cezary Czaplewski
testing ssbond in cx
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
Merge branch 'prerelease-3.2.1' of mmka:unres into...
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
Added refsys.f to src_CSA_DiL
tree
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commitdiff
2013-02-18
Adam Liwo
refsys deleted from readpdb.F in srd_CSA_DiL
tree
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commitdiff
2013-02-18
Adam Liwo
Added refsysy to Cmakelists
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
more type cleaning in DFA
tree
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commitdiff
2013-02-16
Cezary Czaplewski
type declaration in COMMON.DFA
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
no type declaration in common
tree
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commitdiff
2013-02-16
Cezary Czaplewski
common sccor rename to avoid conflict with torsion
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
rename common sccorin src_CSA
tree
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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
2013-02-16
Cezary Czaplewski
common name correction
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
2013-02-14
Cezary Czaplewski
compilation only
tree
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commitdiff
2013-01-10
Dawid Jagiela
fixed missing closing bracket
tree
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commitdiff
2013-01-10
Dawid Jagiela
WHAM -DISNAN fix
tree
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commitdiff
2013-01-10
Dawid Jagiela
added UNRES_MD_FF setting for WHAM in (wham & cluster...
tree
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commitdiff
2012-12-19
Dawid Jagiela
poprawki w COMMONAch
tree
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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
fixed typos in initialize_p.F
tree
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes in src_CSA for initialize_p.F
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
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
force legacy standard for gfortran
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
fix tcpu function in cluster/wham for gfortran
tree
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commitdiff
2012-10-31
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2012-10-31
Dawid Jagiela
tcpu function fix for gfortran
tree
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commitdiff
2012-10-31
Dawid Jagiela
CMake makro cinfo.f fix
tree
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commitdiff
2012-10-30
Dawid Jagiela
CMake unres/src_MIN missing sources 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
10/17/2012 by Adam: Implemented sideadd correction...
tree
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commitdiff
2012-10-17
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
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
2012-10-06
Bartlomiej Zaborowski
Small changes in source src_CSA_DiL. Compilation works now
tree
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commitdiff
2012-10-03
Bartlomiej Zaborowski
Fixed Cmake variable
tree
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commitdiff
2012-10-03
Bartlomiej Zaborowski
1. Fixed merge conflicts
tree
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commitdiff
2012-10-02
Bartlomiej Zaborowski
Merge branch 'bartek' into devel
tree
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commitdiff
2012-10-02
Bartlomiej Zaborowski
Merge branch 'bartek2' into bartek
tree
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commitdiff
2012-10-02
Bartlomiej Zaborowski
zmiana do DiL
tree
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commitdiff
2012-10-02
Bartlomiej Zaborowski
Rozgrzebany DIL
tree
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commitdiff
2012-10-02
Bartlomiej Zaborowski
D i L aminokwasy dzialajace dla src_CSA
tree
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commitdiff
2012-10-01
Adam Liwo
Commit 10/1/12
tree
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commitdiff
2012-09-26
Bartlomiej Zaborowski
"DiL zmiana w param read i tuz przed testami"
tree
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commitdiff
2012-09-26
Bartlomiej Zaborowski
"Przygotowanie CSA do D i L aminokwasow"
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
2012-09-20
Adam Liwo
Sept 20/2012 by Adam: commit changes mostly in the...
tree
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commitdiff
2012-08-20
Dawid Jagiela
added CMake build file for source/maxlik/src_CSA/
tree
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commitdiff
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