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add support for one repeat per json #1071

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atravitz opened this issue Jan 9, 2025 · 0 comments · May be fixed by #1076
Open

add support for one repeat per json #1071

atravitz opened this issue Jan 9, 2025 · 0 comments · May be fixed by #1076
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@atravitz
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cli command-line interface priority:high
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v1.x.0 CLI updates

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@atravitz
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atravitz commented Jan 9, 2025 •
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Is your feature request related to a problem? Please describe.
We should no longer enforce 3 replicates per json, as many users want to parallelize and use a more "flat" structure.

Describe the solution you'd like
Eventually in 2.0, I would like to change the default to n=1. In the short-term, we can add this as a yaml input and/or command line flag.
@atravitz atravitz self-assigned this Jan 9, 2025
@atravitz atravitz added cli command-line interface priority:high labels Jan 9, 2025
@atravitz atravitz added this to the v1.x.0 CLI updates milestone Jan 9, 2025
@atravitz atravitz changed the title add support for one replicate per json add support for one repeat per json Jan 9, 2025
@atravitz atravitz linked a pull request Jan 17, 2025 that will close this issue
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add support for one repeat per json OpenFreeEnergy/openfe
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