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Fast wpols
- #54
#54
Merged
mesonepigreco
merged 10 commits into
master
SSCHAcode/python-sscha:master
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fast_wpols
SSCHAcode/python-sscha:fast_wpols
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Nov 11, 2021
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Fast wpols
#54
mesonepigreco
merged 10 commits into
master
SSCHAcode/python-sscha:master
from
fast_wpols
SSCHAcode/python-sscha:fast_wpols
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Commits
Commits on Oct 15, 2021
A faster code when the diagonalization is the bottleneck
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4a5beb4
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Print also the number of atoms
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3e6fbca
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Prova nuova robusta
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Added the print the error structure
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Fix on flake link
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339853e
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Commits on Oct 20, 2021
Added the possibility to set the elements of Relax with kwargs
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051ced1
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Added also the enforce on the attributes inside the Ensemble
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Commits on Oct 22, 2021
Added two human readable examples
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95149ea
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Commits on Nov 11, 2021
Added the possibility to avoid the dynamical matrix minimization
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Added a check
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