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Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda.pl:unres into prerelease-3.2.1
2016-03-18
Cezary Czaplewski
Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
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2016-03-18
Cezary Czaplewski
arcos = 0.5D0*(PI-DSIGN(1.0D0,X)*PI)
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2016-03-17
Cezary Czaplewski
Adam's corrections to wham from homology branch
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2016-03-15
Cezary Czaplewski
src_MIN sum_gradient from src_MD
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2016-03-15
Cezary Czaplewski
src_MIN eback_sc_corr do intertyp=1,3
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2016-03-14
Cezary Czaplewski
last corrections copied to src_MD-M
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2016-03-14
Cezary Czaplewski
corretion .ge.-pi instead of .gt.-pi in intcartderiv
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2016-03-14
Cezary Czaplewski
eback_sc_corr do intertyp=1,3
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2016-03-10
Cezary Czaplewski
correction after cherry-pick and merge in last commit
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2016-03-10
Cezary Czaplewski
Adam's changes to wham and cluster following previous...
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2016-03-10
Cezary Czaplewski
wham src-M correction to make it working
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2016-03-10
Cezary Czaplewski
correction to previous commit again
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2016-03-10
Cezary Czaplewski
correction to previous commit
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2016-03-10
Cezary Czaplewski
ctest wham in src-M
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2016-03-10
Cezary Czaplewski
Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
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2016-03-10
Cezary Czaplewski
ctest wham
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2016-03-10
Cezary Czaplewski
wham cmake ifort options for larger data
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2016-03-09
Cezary Czaplewski
ctest update for src_MD-M test to match src_MD
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2016-03-09
Cezary Czaplewski
minimization in internal coordinates works in src_MD-M
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2016-03-08
Cezary Czaplewski
corrections to src_MD-M for the same energy as src_MD
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