wiederm / endstate_correction

Endstate corrections from MM to QML potential

https://wiederm.github.io/endstate_correction/

MIT License

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Modify plots #26

Closed saratk1 closed 2 years ago

saratk1 commented 2 years ago

Description

Minor changes in plotting results of switching experiments

Todos

[x] modify plot_resutls_of_switching_experiments() function in analysis module

Status

[x] Ready to go

wiederm commented 2 years ago

Tests are failing here because we are using the openMM setVelocity function --- but this is a bug on openMM's side, all other tests are passing so I think this is ready to be merged.

codecov-commenter commented 2 years ago

Codecov Report

Merging #26 (f2f5185) into main (239053e) will increase coverage by 0.35%. The diff coverage is 66.66%.