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specify temperature and current temperature in atoms.info #433

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alinelena opened this issue Feb 19, 2025 · 0 comments
Open

specify temperature and current temperature in atoms.info #433

alinelena opened this issue Feb 19, 2025 · 0 comments
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@alinelena
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at the moment we save target temperature and pressure in the atoms.info
under temperature and pressure. Names can be improved.. seems to be a a bug (noticeable when you do heating)... recorded temp seems to be one step behind.

would be nice to add also the current temperature for example, but only if is not recomputed.
@alinelena alinelena added the bug Something isn't working label Feb 19, 2025
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@alinelena