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working gradient for ecorr (wcorrh)
[unres4.git]
/
source
/
unres
/
2017-04-27
Adam Sieradzan
working gradient for ecorr (wcorrh)
tree
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commitdiff
2017-04-27
Adam Sieradzan
changes for ees working (no split mode)
tree
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commitdiff
2017-04-26
Adam Sieradzan
bug fix for vdwpp, vdwpp workin, wscp not working in...
tree
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commitdiff
2017-04-26
Adam Sieradzan
working gradient for WSCP (no -respa only)
tree
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commitdiff
2017-04-25
Adam Sieradzan
changes needed for respa for evdw
tree
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commitdiff
2017-04-25
Adam Sieradzan
PBC working for EGB (only)
tree
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commitdiff
2017-04-20
Emilia Lubecka
range of arrays: MaxProcs to NProcs
tree
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commitdiff
2017-04-20
Emilia Lubecka
corrections of max... ranges of arrays
tree
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commitdiff
2017-04-19
Adam Liwo
Removed the obsolete histent array from WHAM
tree
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commitdiff
2017-04-17
Adam Liwo
In UNRES: added read/write d_c(0,:) and d_t(0,:) in...
tree
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commitdiff
2017-04-14
Cezary Czaplewski
NEWGRAD added to unres Makefile and UNRES_NEWGRAD to...
tree
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commitdiff
2017-03-10
Emilia Lubecka
small cleaning
tree
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commitdiff
2017-02-23
Cezary Czaplewski
numerical gradient delta 10e-4
tree
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commitdiff
2017-02-17
Cezary Czaplewski
etor & etor_d multichain match prerelease
tree
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commitdiff
2017-02-16
Cezary Czaplewski
energy match prerelease from old unres
tree
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commitdiff
2017-02-15
Cezary Czaplewski
cmake for unres4 wham
tree
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commitdiff
2017-02-15
Cezary Czaplewski
cmake for unres4 - the first version, unres only no...
tree
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commitdiff
2017-02-14
Cezary Czaplewski
corrections from emilial
tree
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commitdiff
2016-12-16
Emilia Lubecka
corrections of maxres2 in c array
tree
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commitdiff
2016-12-15
Emilia Lubecka
popr. tab w sum_gradient
tree
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commitdiff
2016-10-14
Cezary Czaplewski
unres_package_Oct_2016 from emilial
tree
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commitdiff
2015-07-17
Adam Sieradzan
bug fix in SCcorr gradient
release
tree
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commitdiff
2015-07-15
Dawid Jagieła
added v4.0 sources
v4.0
tree
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commitdiff