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Releases: conradhuebler/curcuma

Curcuma 0.0.138

13 Mar 23:25
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Curcuma 0.0.138 Pre-release
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replace old uff with new uff

Signed-off-by: Conrad Hübler <Conrad.Huebler@gmx.net>
Assets 3
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Curcuma 0.0.137

05 Mar 22:23
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replace some vector/array matrices with eigen matrices

Signed-off-by: Conrad Hübler <Conrad.Huebler@gmx.net>
Assets 3
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Curcuma 0.0.136

26 Feb 23:06
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Curcuma 0.0.136 Pre-release
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dtemplate reorder method

Signed-off-by: Conrad Hübler <Conrad.Huebler@gmx.net>
Assets 3
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Curcuma 0.0.135

23 Feb 23:29
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update ff, and essential step for rmsd atom indices permutation

Signed-off-by: Conrad Hübler <Conrad.Huebler@gmx.net>
Assets 3
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Curcuma 0.0.134

18 Feb 22:38
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Curcuma 0.0.134 Pre-release
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more on forcefield

Signed-off-by: Conrad Hübler <Conrad.Huebler@gmx.net>
Assets 2
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Curcuma 0.0.133

11 Feb 21:39
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Curcuma 0.0.133 Pre-release
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load mol2 files, fix opt before md

Signed-off-by: Conrad Hübler <Conrad.Huebler@gmx.net>
Assets 3
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Curcuma 0.0.132

30 Jan 22:06
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Curcuma 0.0.132 Pre-release
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stop md if there are too many errors

Signed-off-by: Conrad Hübler <Conrad.Huebler@gmx.net>
Assets 3
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Curcuma 0.0.131

25 Jan 23:19
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Curcuma 0.0.131 Pre-release
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update rattle and com during md

Signed-off-by: Conrad Hübler <Conrad.Huebler@gmx.net>
Assets 3
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Curcuma 0.0.130

07 Jan 23:03
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Curcuma 0.0.130 Pre-release
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Merge branch 'master' into lbfgs and update hessian/opt

Signed-off-by: Conrad Hübler <Conrad.Huebler@gmx.net>
Assets 3
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Curcuma 0.0.129

04 Jan 23:12
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Curcuma 0.0.129 Pre-release
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add harmonic and logfermi (WIP) wall potential to md calculation

Signed-off-by: Conrad Hübler <Conrad.Huebler@gmx.net>
Assets 3
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