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Support for Umbrella Sampling Calculations in NOMAD #103

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Bernadette-Mohr opened this issue Apr 8, 2024 · 0 comments · May be fixed by #104
Open

Support for Umbrella Sampling Calculations in NOMAD #103

Bernadette-Mohr opened this issue Apr 8, 2024 · 0 comments · May be fixed by #104
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@Bernadette-Mohr
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enhancement New feature or request

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@Bernadette-Mohr
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Extend the Gromacs parser to support Umbrella Sampling calculations.
@Bernadette-Mohr Bernadette-Mohr self-assigned this Apr 8, 2024
@Bernadette-Mohr Bernadette-Mohr added the enhancement New feature or request label Apr 8, 2024
@Bernadette-Mohr Bernadette-Mohr linked a pull request Apr 16, 2024 that will close this issue
Entries missing from input_parameters #104
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Entries missing from input_parameters nomad-coe/atomistic-parsers
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@Bernadette-Mohr