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openforcefield
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dimsim
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Compute observables
- #120
#120
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mattwthompson
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openforcefield/dimsim:main
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return-observables
openforcefield/dimsim:return-observables
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Compute observables
#120
mattwthompson
wants to merge 2 commits into
main
openforcefield/dimsim:main
from
return-observables
openforcefield/dimsim:return-observables
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Commits on Jul 29, 2026
Pipe results to `descent.targets.thermo._compute_observables`
mattwthompson
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23c7a1b
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Commits on Aug 3, 2026
Compute observables following Josh's example
mattwthompson
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5b9aa02
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