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correction of gamsc
[unres4.git]
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source
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unres
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energy.f90
2017-08-18
Adam Sieradzan
working microcanonical
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2017-08-16
Adam Sieradzan
working gradient
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2017-08-11
Adam Sieradzan
energi calculation working (no weights!)
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2017-08-11
Adam Sieradzan
working ESBLOC
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2017-08-09
Adam Sieradzan
workink EVDW i EES for PP,SB,PSB- warning energies...
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2017-08-06
Adam Sieradzan
working torsional
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2017-08-06
Adam Sieradzan
adding ebend_nucl to UCGM+some further reading
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2017-08-04
Adam Sieradzan
Merge branch 'devel' into UCGM
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2017-08-04
Adam Sieradzan
debug for etube for too long wheightcard
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2017-08-03
Adam Sieradzan
split matrices working reading pdb
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2017-08-02
Adam Sieradzan
reading from extended mutliple sequence
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2017-08-01
Adam Sieradzan
The itype(;) extension to itype(:,:)
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2017-07-31
Adam Sieradzan
triss; AFM; Lorentz restrains included -debug might...
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2017-07-14
Adam Sieradzan
working nano
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2017-07-07
Adam Sieradzan
working gradient for lipid and shielding
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2017-07-06
Adam Sieradzan
working energy for shield and lipid wrong gradient
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2017-04-29
Adam Sieradzan
energy fr PBC workin ene,grad,symp_chek OK, for respa...
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2017-04-28
Adam Sieradzan
Gradient correct, 180deg problem unresolved
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2017-04-27
Adam Sieradzan
working gradient for ecorr (wcorrh)
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2017-04-27
Adam Sieradzan
changes for ees working (no split mode)
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2017-04-26
Adam Sieradzan
bug fix for vdwpp, vdwpp workin, wscp not working in...
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2017-04-26
Adam Sieradzan
working gradient for WSCP (no -respa only)
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2017-04-25
Adam Sieradzan
changes needed for respa for evdw
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2017-04-25
Adam Sieradzan
PBC working for EGB (only)
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2017-04-20
Emilia Lubecka
corrections of max... ranges of arrays
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2017-04-14
Cezary Czaplewski
NEWGRAD added to unres Makefile and UNRES_NEWGRAD to...
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2017-03-10
Emilia Lubecka
small cleaning
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2017-02-23
Cezary Czaplewski
numerical gradient delta 10e-4
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2017-02-17
Cezary Czaplewski
etor & etor_d multichain match prerelease
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2017-02-16
Cezary Czaplewski
energy match prerelease from old unres
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2016-12-15
Emilia Lubecka
popr. tab w sum_gradient
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2016-10-14
Cezary Czaplewski
unres_package_Oct_2016 from emilial
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2015-07-17
Adam Sieradzan
bug fix in SCcorr gradient
release
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2015-07-15
Dawid Jagieła
added v4.0 sources
v4.0
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