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Crescale barostat - #601

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CompRhys merged 1 commit into
TorchSim:mainfrom
PascalSalzbrenner:crescale-tau_p
Aug 21, 2026
Merged

Crescale barostat#601
CompRhys merged 1 commit into
TorchSim:mainfrom
PascalSalzbrenner:crescale-tau_p

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@PascalSalzbrenner

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Addresses issue #600:

  • new default for tau_p: 1000*dt
  • defaulting uses is None instead of or for tau_p and isothermal_compressibility: per-system tensors now properly allowed, no silent defaulting of 0.
  • added two tests to check the defaults don't blow up a simulation cell & that tensors can be passed

… both it and compressibility can properly be passed as tensors
@CompRhys
CompRhys requested a review from thomasloux August 21, 2026 12:03
@CompRhys
CompRhys merged commit 17c14a0 into TorchSim:main Aug 21, 2026
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2 participants