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BUG FIX in arcos.f
[unres.git]
/
source
/
wham
/
src-M
/
2016-02-04
Adam Sieradzan
BUG FIX in arcos.f
tree
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commitdiff
2016-02-03
Adam Sieradzan
correction in wham and UNRES for lipid and correlation
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commitdiff
2016-01-12
Adam Sieradzan
adding common shield
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commitdiff
2016-01-12
Adam Sieradzan
changes in wham
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commitdiff
2015-10-29
Adam Sieradzan
correction in readrefstr
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commitdiff
2015-09-29
Adam Sieradzan
Merge branch 'lipid' into AFM
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commitdiff
2015-09-29
Adam Sieradzan
ESSENTIAL CHANGE - BUG FIX in ENERGY to have old Correl...
tree
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commitdiff
2015-09-29
Adam Sieradzan
wham in lipid still diff
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commitdiff
2015-08-06
Adam Sieradzan
Merge branch 'devel' into AFM
tree
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commitdiff
2015-08-03
Adam Sieradzan
1) debug of Lorentzian like constrains in cluster 2...
tree
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commitdiff
2015-08-02
Adam Sieradzan
first introduction of valence constrains - not working yet
tree
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commitdiff
2015-07-31
Adam Sieradzan
introduction of different ftors for each site
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commitdiff
2015-07-28
Adam Sieradzan
Intoduction Lorentizan like restrains to cluster
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commitdiff
2015-07-21
Adam Sieradzan
WHAM for Lorentzian like constrains fixed - DEBUG OFF
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commitdiff
2015-07-20
Adam Sieradzan
debuging WHAM for constrains DEBUG ON
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commitdiff
2015-07-10
Adam Sieradzan
introduction of quartic an Lonrentz constrains to WHAM
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commitdiff
2015-05-25
Adam Sieradzan
hidden part of debug
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commitdiff
2015-05-25
Adam Sieradzan
nss*ebr removed
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commitdiff
2015-05-25
Adam Sieradzan
cxread debug 7
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commitdiff
2015-05-25
Adam Sieradzan
debug part 6
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commitdiff
2015-05-25
Adam Sieradzan
Debug 5
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commitdiff
2015-05-25
Adam Sieradzan
another DEBUG
tree
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commitdiff
2015-05-25
Adam Sieradzan
dubug dss part 3
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commitdiff
2015-05-25
Adam Sieradzan
diffrent name for evdw
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commitdiff
2015-05-25
Adam Sieradzan
TRISS debug
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commitdiff
2015-05-25
Adam Sieradzan
Warnig Debug ON
tree
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commitdiff
2015-05-24
Adam Sieradzan
Corrected WHAM and UNRES reading in SS dyn...
tree
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commitdiff
2015-05-23
Adam Sieradzan
Introduction of working dyn_ss and triss. Problems...
tree
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commitdiff
2015-05-23
Adam Sieradzan
Correction in readrtns
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commitdiff
2015-05-23
Adam Sieradzan
Change in line of dyn_ss
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commitdiff
2015-05-22
Adam Sieradzan
Adding dyn_ss and triss potentials to src-M wham
tree
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commitdiff
2015-05-06
Dawid Jagiela
fixed install binary paths
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commitdiff
2015-04-21
Pawel Krupa
MPICH2 and energy fixes in WHAM-M and Cluster-M.
tree
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commitdiff
2015-04-17
Pawel Krupa
Fixed error caused by new MPICH2, which made WHAM-M...
tree
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commitdiff
2015-04-16
Pawel Krupa
Fixed energy differs in WHAM-M (EBE).
tree
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commitdiff
2015-04-05
Dawid Jagiela
added Force-Fields descriptions in exe filenames
tree
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commitdiff
2014-12-17
Adam Sieradzan
Merge branch 'master' of mmka:unres
tree
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commitdiff
2014-12-17
Adam Sieradzan
Merge branch 'master' of mmka:unres into multichain
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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
2014-11-05
Dawid Jagiela
Merge branch 'prerelease-3.2.1' into devel
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
switched to CMake FindMPI module in all source files...
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
2014-09-11
Adam Kazimierz Sie...
poprawka w triss
tree
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commitdiff
2014-06-10
Adam Sieradzan
Introduction of PBC to cluster energy and reading,...
tree
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commitdiff
2014-05-25
Adam Kazimierz Sie...
zmiany, wylaczenie diagnostyki, dzialajacy WHAM
tree
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commitdiff
2014-05-21
Adam Kazimierz Sie...
diagnoza dlaczego WHAM nie dziala
tree
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commitdiff
2014-05-15
Adam Kazimierz Sie...
zmiany w WHAM PBC przed sprawdzeniem differow
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 2
tree
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commitdiff
2013-11-05
Adam Sieradzan
pierwsza proba merga devela do adasko
tree
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commitdiff
2013-11-05
Adam Sieradzan
Dostosowanie w src whama i clustra
tree
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commitdiff
2013-04-12
Dawid Jagiela
added default preprocessor flags for unknown compilers
tree
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commitdiff
2013-04-12
Dawid Jagiela
added default preprocessor flags for unknown compilers
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
common sccor rename to avoid conflict with torsion
tree
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commitdiff
2013-01-10
Dawid Jagiela
fixed missing closing bracket
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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
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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
2013-01-10
Dawid Jagiela
added UNRES_MD_FF setting for WHAM in (wham & cluster...
tree
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commitdiff
2013-01-06
Adam Sieradzan
Wprowadzenie do Clustrowania D-aminokwasow w polu Yi
tree
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commitdiff
2012-12-18
Adam Sieradzan
Usuniecie diagnostyki
tree
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commitdiff
2012-12-10
Adam Sieradzan
zmiana w COMMONIE
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commitdiff
2012-12-06
Adam Sieradzan
bugfix w whamie w parmreadzie
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commitdiff
2012-12-06
Adam Sieradzan
bugfix przekroczenia granic
tree
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commitdiff
2012-12-05
Adam Sieradzan
zmaina w xdrf
tree
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commitdiff
2012-12-03
Andrei Niadzvedtski
Zmiany w COMMONach
tree
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commitdiff
2012-12-03
Adam Kazimierz Sie...
poprawka w liczbie ntyp
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commitdiff
2012-12-03
Andrei Niadzvedtski
Zmiana w wham-m dla pola Yi
tree
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commitdiff
2012-12-03
Adam Kazimierz Sie...
Zmiany do WHAM-M dla pola Yi
tree
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commitdiff
2012-11-30
Adam Sieradzan
zmiana w symetry (bugfix)
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 fixes in local_move.f, energy_p_new.F & initia...
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
force legacy standard for gfortran
tree
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commitdiff
2012-11-07
Dawid Jagiela
force legacy standard for gfortran
tree
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commitdiff
2012-11-07
Dawid Jagiela
force legacy standard for gfortran
tree
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commitdiff
2012-10-31
Dawid Jagiela
CMake makro cinfo.f fix
tree
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commitdiff
2012-10-31
Dawid Jagiela
CMake makro cinfo.f fix
tree
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commitdiff
2012-10-30
Adam Kazimierz Sie...
Wstawnieni SCCOR dla clustrowania. Nie wiadomo czy...
tree
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commitdiff
2012-10-29
Adam Kazimierz Sie...
Wprowadzenie SCCOR dla wham-M
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commitdiff
2012-10-26
Adam Kazimierz Sie...
Rozgrzebany SCCOR dla wham-M
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commitdiff
2012-08-31
Adam Kazimierz Sie...
Zmina 21 na ntyp1 w wham src i src-M
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commitdiff
2012-08-24
Adam Kazimierz Sie...
Dzialajaczy dla D aminokwasow whama(mono) psuedosymetri...
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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
2012-08-20
Dawid Jagiela
1. cmake cinfo.f generation for all sources 2. deleted...
tree
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commitdiff
2012-08-17
Adam Kazimierz Sie...
Wham po zmianach i dzialajac dla D aminokwasow i BEZ...
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commitdiff
2012-07-19
Dawid Jagiela
cinfo.f generation and macro for unres MD
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commitdiff
2012-07-19
Dawid Jagiela
cinfo.f generation and macro for unres MD
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commitdiff
2012-05-27
Dawid Jagiela
included <stdio.h> in proc_proc.c
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commitdiff
2012-05-27
Dawid Jagiela
sscanf EOF fix in source/wham/src-M/proc_proc.c
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commitdiff
2012-05-27
Dawid Jagiela
closing ascii art frames in energy_p_new.F
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commitdiff
2012-05-27
Dawid Jagiela
flags typo fix
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commitdiff
2012-05-26
Dawid Jagiela
wham compinfo EOF fix
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commitdiff
2012-05-26
Dawid Jagiela
void cast on fgets & fscanf in compinfo.c
tree
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commitdiff
2012-05-15
Dawid Jagiela
added missig wham/src-M source files to cmake build
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commitdiff
2012-05-15
Dawid Jagiela
Added CMake files for building source/wham/src-M
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commitdiff
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