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Merge branch 'master' of mmka.chem.univ.gda.pl:unres into homology
[unres.git]
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source
/
unres
/
2015-02-25
Felipe Pineda
Merge branch 'master' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2015-02-20
Felipe Pineda
Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2015-02-19
Adam Sieradzan
EBE change in prerealese-3.2.1 make dummy atom idependent
tree
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commitdiff
2015-02-16
Adam Sieradzan
poprawka w src_MD
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commitdiff
2015-02-16
Adam Sieradzan
Poprawiony src_MD-M gradient
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commitdiff
2015-02-12
Felipe Pineda
1st running version of UNRES HM by FP and AL
tree
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commitdiff
2015-02-11
Adam Sieradzan
Merge branch 'prerelease-3.2.1' of mmka:unres into...
tree
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commitdiff
2015-02-11
Adam Sieradzan
rozgrzebana minimalizacja
tree
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commitdiff
2015-02-11
Adam Sieradzan
intro of SCCOR into src_MIN
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
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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
dfa.F was missing form cmake configurations files
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...
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commitdiff
2015-01-04
Adam Sieradzan
poprawka gradientu w CSA
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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
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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
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commitdiff
2014-12-17
Adam Kazimierz Sie...
Poprawiony SCR_MD-M i dzialajacy
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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
Updated changelog, added minimization-only version...
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commitdiff
2014-12-11
Adam Liwo
Created binaries and fixed bugs when compiling single...
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commitdiff
2014-12-05
Cezary Czaplewski
new options for mpich2 with gfortran Makefile
tree
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commitdiff
2014-12-05
Cezary Czaplewski
src_CSA_DiL removed from prerelease, current version...
tree
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commitdiff
2014-11-28
Cezary Czaplewski
testing 2D replica exchange with FPROCS>1
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commitdiff
2014-11-28
Dawid Jagiela
changed FF preprocesor flags in src_CSA_DiL/CMakeLists.txt
tree
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commitdiff
2014-11-28
Dawid Jagiela
fixed FF preprocesor flags for src_CSA/CMakeLists.txt
tree
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commitdiff
2014-11-28
Dawid Jagiela
changed csa.f to csa.F in src_CSA/CMakeLists.txt sources
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commitdiff
2014-11-28
Adam Liwo
Trying to bring files - continued
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commitdiff
2014-11-27
Adam Liwo
Fixed Makefiles, handle all force fields thru appropria...
tree
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commitdiff
2014-11-09
Cezary Czaplewski
restart is now working with HOMOL_NSET
tree
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commitdiff
2014-11-07
Cezary Czaplewski
untrack *.exe in git
tree
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commitdiff
2014-11-07
Cezary Czaplewski
some corrections to 2D replica exchange with homology
tree
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commitdiff
2014-11-07
Cezary Czaplewski
2D replica exchange with homology constraints
tree
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commitdiff
2014-11-05
Dawid Jagiela
ctest ala10 binary location fix
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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
1) Threading cleanup in src_CSA & src_CSA_DiL
tree
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commitdiff
2014-10-26
Dawid Jagiela
switched to CMake FindMPI module in all source files...
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commitdiff
2014-10-26
Dawid Jagiela
added missing preprocessor flags for prng_32.F
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commitdiff
2014-10-25
Dawid Jagiela
prng.f unification
tree
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commitdiff
2014-10-17
Felipe Pineda
Adam's homology version of unres with new readpdb.F...
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
fixed CMake variable typo
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 1
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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
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commitdiff
2013-08-31
Adam Kazimierz Sie...
wylaczenie diagnostyki
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commitdiff
2013-08-31
Adam Kazimierz Sie...
zmiany w prereleasie drobne
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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
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commitdiff
2013-02-18
Cezary Czaplewski
dynamic dissulfides with finegrain parallelization...
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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
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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
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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
rename common sccorin src_CSA
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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
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commitdiff
2013-02-16
Cezary Czaplewski
prng and not prng_32 for f95
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commitdiff
2013-02-16
Cezary Czaplewski
new SCCORPAR for ctest
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commitdiff
2013-02-16
Cezary Czaplewski
common reorder to avoid padding in gfortran
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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
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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
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commitdiff
2013-02-15
Cezary Czaplewski
dynamic SS from old Maurizio's code
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commitdiff
2013-02-14
Cezary Czaplewski
compilation only
tree
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commitdiff
2012-12-19
Dawid Jagiela
poprawki w COMMONAch
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes in local_move.f, energy_p_new.F & initia...
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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
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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
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commitdiff
2012-11-23
Dawid Jagiela
gfortran legacy standard enforcement
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commitdiff
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