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Support ion dynamics with xTB Hamiltonian #982

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awvwgk opened this issue Mar 10, 2022 · 0 comments
Open

Support ion dynamics with xTB Hamiltonian #982

awvwgk opened this issue Mar 10, 2022 · 0 comments
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@fbonafe @charlymedrano7 @awvwgk
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enhancement Hamiltonian: xTB Related to the extended tight-binding Hamiltonian

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awvwgk commented Mar 10, 2022

Implement forces for the xTB Hamiltonian in the time propagation module to allow ion dynamics.
@awvwgk awvwgk added enhancement Hamiltonian: xTB Related to the extended tight-binding Hamiltonian labels Mar 10, 2022
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enhancement Hamiltonian: xTB Related to the extended tight-binding Hamiltonian
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@fbonafe @charlymedrano7 @awvwgk