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libAtoms / matscipy

Materials science with Python at the atomic-scale
http://libatoms.github.io/matscipy/
GNU Lesser General Public License v2.1
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WIP: Adaptive continuation improvements #162

Closed jameskermode closed 1 year ago

jameskermode commented 1 year ago

Work in progress on improvements to add adaptive timestepping to the numerical continuation SinclairCrack class

jameskermode commented 1 year ago

Neighbour list test failure is fixed on master - if you merge that into this branch then tests should pass