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ctest - more checkgrad tests added
[unres.git]
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source
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cluster
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2016-06-20
Cezary Czaplewski
cmake multichain wham cluster_wham -mcmodel=medium
tree
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commitdiff
2016-05-17
Cezary Czaplewski
cmake changes for pgf90
tree
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commitdiff
2016-05-15
Pawel Krupa
Small fixes in dimensions for memory in piasek.
tree
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commitdiff
2016-05-15
Pawel Krupa
Cluster-M structure and maximum residue changes.
tree
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commitdiff
2016-04-28
Cezary Czaplewski
ctest -DUNRES_MPIRUN=1 for tryton
tree
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commitdiff
2016-04-28
Cezary Czaplewski
cmake -mcmodel=medium for gfortran wham and cluster_wham
tree
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commitdiff
2016-04-27
Pawel Krupa
Added maxlik potentials for CASP12 and protein dimensio...
tree
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commitdiff
2016-04-25
Cezary Czaplewski
ctest on cray with srun all tests
tree
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commitdiff
2016-04-18
Cezary Czaplewski
ctest works with lam mpi
tree
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commitdiff
2016-04-01
Cezary Czaplewski
first and last GLY in seq gives correct energy in unres...
tree
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commitdiff
2016-03-24
Cezary Czaplewski
cluster_wham src-M agrees with src for single chain
tree
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commitdiff
2016-03-23
Cezary Czaplewski
wham & cluster_wham energy correction to match unres...
tree
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commitdiff
2016-03-18
Cezary Czaplewski
arcos = 0.5D0*(PI-DSIGN(1.0D0,X)*PI)
tree
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commitdiff
2016-03-11
Cezary Czaplewski
ctest cluster int for csa output
tree
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commitdiff
2016-03-10
Cezary Czaplewski
ctest cluster_wham src-M
tree
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commitdiff
2016-03-10
Cezary Czaplewski
ctest cluster_wham
tree
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commitdiff
2016-03-10
Cezary Czaplewski
cleaning of cluster_wham
tree
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commitdiff
2016-03-10
Cezary Czaplewski
correction after cherry-pick and merge in last commit
tree
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commitdiff
2016-03-10
Cezary Czaplewski
Adam's changes to wham and cluster following previous...
tree
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commitdiff
2016-03-10
Cezary Czaplewski
corrections to cluster_wham
tree
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commitdiff
2016-03-10
Cezary Czaplewski
revert DIMENSIONS corrected maxterm_sccor=6
tree
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commitdiff
2016-03-10
Cezary Czaplewski
DIMENSIONS corrected maxterm_sccor=20
tree
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commitdiff
2016-02-11
Adam Sieradzan
adding correction in cluster debug
tree
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commitdiff
2015-12-18
Adam Liwo
Fized same buffer issue in gather and gatherv in wham...
tree
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commitdiff
2015-11-26
Adam Liwo
xdrf added to cluster
tree
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commitdiff
2015-05-10
Adam Liwo
Import fixed makefiles in cluster
tree
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commitdiff
2015-05-07
Cezary Czaplewski
adding in cmake UNRES_MD_FF = 4P for wham and cluster
tree
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commitdiff
2015-05-07
Cezary Czaplewski
fixed binary names for cmake and make
tree
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commitdiff
2015-05-06
Dawid Jagiela
fixed install binary paths
tree
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commitdiff
2015-05-06
Adam Liwo
Fixed Makefiles in clust/src_MD-M
tree
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commitdiff
2015-01-19
Adam Sieradzan
dzialajacy wham+poprawka w funckji energi+ poprawka...
tree
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commitdiff
2014-12-18
Adam Kazimierz Sie...
dodanie czytania wagi wsccor do clustrowania-M
tree
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commitdiff
2014-12-18
Adam Kazimierz Sie...
Wstawnieni SCCOR dla clustrowania. Nie wiadomo czy...
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
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...
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
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
2013-06-28
Adam Kazimierz Sie...
Bugfix for SS wham and introduction SS to cluster analysis
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
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
2012-10-31
Dawid Jagiela
fix tcpu function in cluster/wham for gfortran
tree
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commitdiff
2012-10-31
Dawid Jagiela
tcpu function fix for gfortran
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
2012-07-31
Adam Kazimierz Sie...
poprawka clustrowania z potencjalami wsccor (zle czytan...
tree
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commitdiff
2012-07-30
Adam Kazimierz Sie...
poprawka w cluster dla potencjalow shelleya
tree
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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 "poprawka przy liczeniu tau w clustrze"
tree
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commitdiff
2012-07-06
Adam Kazimierz Sie...
poprawki makefile ktore i tak zostan zmienione
tree
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commitdiff
2012-07-06
Adam Kazimierz Sie...
wyrowanie COMMON>SCCOR
tree
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commitdiff
2012-07-06
Adam Kazimierz Sie...
Wyrowanie w COmmonie...
tree
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commitdiff
2012-07-06
Adam Kazimierz Sie...
poprawka przy liczeniu tau w clustrze
tree
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commitdiff
2012-06-27
Adam Kazimierz Sie...
Merge branch 'adasko' into devel
tree
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commitdiff
2012-06-27
Adam Kazimierz Sie...
glupia zmiana
tree
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commitdiff
2012-06-27
Adam Kazimierz Sie...
Wprowadzenie SCCOR do WHAMa i CLUSTROWNIA
tree
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commitdiff
2012-06-18
Dawid Jagiela
added source/cluster/wham/src/gnmr1.f to cmake build
tree
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commitdiff
2012-06-18
Dawid Jagiela
resolving merge conflicts
tree
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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
2012-06-11
Adam Liwo
6/11/2012 Changes of the CSA version
tree
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commitdiff
2012-05-26
Dawid Jagiela
added header for proc_proc.c
tree
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commitdiff
2012-05-26
Dawid Jagiela
compinfo.c warning supresion
tree
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commitdiff
2012-05-25
Dawid Jagiela
gfortran fix for cluster/wham/src build
tree
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commitdiff
2012-05-24
Dawid Jagiela
gfortran proc_proc.c build flags fix in source/cluster...
tree
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commitdiff
2012-05-20
Dawid Jagiela
added missing source cluster/wham/src-M
tree
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commitdiff
2012-05-20
Dawid Jagiela
cluster/wham hc.f gfortran fix
tree
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commitdiff
2012-05-20
Dawid Jagiela
include typo fixed + cleanup
tree
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commitdiff
2012-05-20
Adam Liwo
5/20/2012 by Adam
tree
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commitdiff
2012-05-18
Dawid Jagiela
fixed ascii art frames in source/cluster/wham/src...
tree
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commitdiff
2012-05-18
Dawid Jagiela
another ascii art frame fix
tree
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commitdiff
2012-05-18
Dawid Jagiela
fix for gfortran build of source/cluster/unres
tree
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commitdiff
2012-05-16
Dawid Jagiela
fixed typo
tree
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commitdiff
2012-05-16
Dawid Jagiela
added CMake files to build cluster/wham/src-M
tree
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commitdiff
2012-02-25
Dawid Jagieła
added source code
v.3.0
tree
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commitdiff