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Support for FEP calculation in LAMMPS #349

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jaclark5 opened this issue Mar 13, 2024 · 0 comments · May be fixed by #348
Open

Support for FEP calculation in LAMMPS #349

jaclark5 opened this issue Mar 13, 2024 · 0 comments · May be fixed by #348
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enhancement LAMMPS MD engine

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@jaclark5
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It would be nice if this package was compatible with the outputs of LAMMPS FEP package.
@jaclark5 jaclark5 linked a pull request Mar 13, 2024 that will close this issue
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@orbeckst orbeckst mentioned this issue Oct 7, 2024
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@orbeckst orbeckst linked a pull request Oct 7, 2024 that will close this issue
Lammps Support #348
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enhancement LAMMPS MD engine
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Lammps Support jaclark5/alchemlyb
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