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@drroe drroe commented Feb 2, 2024

6.23.1.

Adds the getbox keyword to the box command to allow extracting unit cell, fractional cell, or symmetric shape matrix data. Adds tests and updates the manual.

@drroe drroe added the New keywords New keywords for existing commands. label Feb 2, 2024
@drroe drroe self-assigned this Feb 2, 2024
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drroe commented Feb 2, 2024

@swails Should I disable the PGI build? I'm not even sure how many people use that.

https://jenkins.jasonswails.com/blue/organizations/jenkins/amber-github%2Fcpptraj/detail/PR-1066/1/pipeline

@drroe drroe merged commit dc4357b into Amber-MD:master Feb 2, 2024
@drroe drroe deleted the getbox branch February 2, 2024 20:51
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