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add quickstart --extend and --restart flags #989

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atravitz opened this issue Oct 28, 2024 · 1 comment

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cli

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atravitz commented Oct 28, 2024

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atravitz commented Oct 28, 2024

Users want to be able to restart a simulation that they have the json path for.
we can implement this, but it would be outside the scope of tracked(?) simulations within openfe

expected behavior:
openfe quickstart --extend 50 ns *args from when it was ran the first time*

openfe quickstart --restart *args from when it was ran the first time*

atravitz transferred this issue from OpenFreeEnergy/ExampleNotebooks

atravitz added the cli label

atravitz added this to the 1.3 milestone

atravitz modified the milestones: 1.3.0, v1.3.0

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