Unify, improve and create Makers + improve vaspout to extxyz converter #222

QuantumChemist · 2024-11-12T13:14:17Z

a new PR to improve IsolatedAtomsMaker and maybe create a DimerMaker as discussed here Created a new unified flow module for RSS. #203 (comment) and here Created a new unified flow module for RSS. #203 (comment)
vaspout to extxyz: Created a new unified flow module for RSS. #203 (comment)

QuantumChemist assigned QuantumChemist and YuanbinLiu Nov 12, 2024

QuantumChemist linked a pull request Nov 29, 2024 that will close this issue

Refactoring of the MLIP modules and other non-urgent things #280

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QuantumChemist removed a link to a pull request Dec 4, 2024

Refactoring of the MLIP modules and other non-urgent things #280

Merged

11 tasks

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Unify, improve and create Makers + improve vaspout to extxyz converter #222

Unify, improve and create Makers + improve vaspout to extxyz converter #222

QuantumChemist commented Nov 12, 2024 •

edited

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Unify, improve and create Makers + improve vaspout to extxyz converter #222

Unify, improve and create Makers + improve vaspout to extxyz converter #222

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QuantumChemist commented Nov 12, 2024 • edited Loading

QuantumChemist commented Nov 12, 2024 •

edited

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