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ctest - more checkgrad tests added
[unres.git]
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source
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wham
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src-M
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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
Extended maximum residue number and number of temperatures.
tree
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commitdiff
2016-04-28
Cezary Czaplewski
ctest -DUNRES_MPIRUN=1 for tryton
tree
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commitdiff
2016-04-25
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
2016-03-24
Cezary Czaplewski
cluster_wham src-M agrees with src for single chain
tree
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commitdiff
2016-03-24
Cezary Czaplewski
ctest wham and cluster_wham correction
tree
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commitdiff
2016-03-23
Cezary Czaplewski
wham thermal format $ correction for gfortran
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
2016-03-10
Cezary Czaplewski
wham src-M correction to make it working
tree
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commitdiff
2016-03-10
Cezary Czaplewski
correction to previous commit again
tree
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commitdiff
2016-03-10
Cezary Czaplewski
correction to previous commit
tree
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commitdiff
2016-03-10
Cezary Czaplewski
ctest wham in src-M
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
2015-12-18
Adam Liwo
Fized same buffer issue in gather and gatherv in wham...
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 (update)
tree
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commitdiff
2015-05-06
Dawid Jagiela
fixed install binary paths
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
2015-01-05
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
2015-01-04
Adam Sieradzan
Naprawienie wham'a oraz wprowadzenie SCcorr do CSA
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
2014-12-18
Adam Kazimierz Sie...
Wprowadzenie SCCOR dla wham-M
tree
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commitdiff
2014-12-18
Adam Kazimierz Sie...
Rozgrzebany SCCOR dla wham-M
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
2014-10-08
Cezary Czaplewski
correct default option for compilers in wham CmakeList.txt
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
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
2012-11-23
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
2012-10-31
Dawid Jagiela
CMake makro cinfo.f fix
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
2012-07-19
Dawid Jagiela
cinfo.f generation and macro for unres MD
tree
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commitdiff
2012-05-27
Dawid Jagiela
included <stdio.h> in proc_proc.c
tree
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commitdiff
2012-05-27
Dawid Jagiela
sscanf EOF fix in source/wham/src-M/proc_proc.c
tree
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commitdiff
2012-05-27
Dawid Jagiela
closing ascii art frames in energy_p_new.F
tree
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commitdiff
2012-05-27
Dawid Jagiela
flags typo fix
tree
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commitdiff
2012-05-26
Dawid Jagiela
wham compinfo EOF fix
tree
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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
tree
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commitdiff
2012-05-15
Dawid Jagiela
Added CMake files for building source/wham/src-M
tree
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commitdiff
2012-02-25
Dawid Jagieła
added source code
tree
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commitdiff