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Split chi energy and kappa energy in H5MD output #30

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mortele opened this issue Mar 22, 2021 · 0 comments
Open

Split chi energy and kappa energy in H5MD output #30

mortele opened this issue Mar 22, 2021 · 0 comments
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enhancement New feature or request

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mortele commented Mar 22, 2021 •
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Calculate w[phi] separately for the χ (interaction) and the κ (uniform density) contributions to the energy and output them to two additional vectors in the H5MD output file.
@mortele mortele changed the title Split χ energy and κ energy in H5MD output Split chi energy and kao energy in H5MD output Mar 22, 2021
@mortele mortele changed the title Split chi energy and kao energy in H5MD output Split chi energy and kappa energy in H5MD output Mar 22, 2021
@mortele mortele added the enhancement New feature or request label Mar 22, 2021
@mortele mortele self-assigned this Mar 22, 2021
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