MultiStateReporter variable pos/vel save frequency#712

Closed

richardjgowers wants to merge 11 commits intochoderalab:mainfrom OpenFreeEnergy:multistatereporter_variable_pos_frequency

Commits on Jul 13, 2023

allow MultiStateReporter to write positions and velocities at a different frequency to energies data.
richardjgowers
committed

Commits on Jul 17, 2023

MultiStateReporter use 0 for do not write
richardjgowers
committed

Commits on Aug 22, 2023

Merge branch 'main' into multistatereporter_variable_pos_frequency
mikemhenry
authored

Commits on Nov 14, 2023

Merge branch 'main' into multistatereporter_variable_pos_frequency
mikemhenry
authored

Commits on Jan 11, 2024

Commits on Jan 12, 2024

catch IndexError when file had no position/velocity data ever stored
richardjgowers
committed

Commits on Jan 24, 2024

Merge branch 'main' into multistatereporter_variable_pos_frequency
mikemhenry
authored

Commits on Oct 1, 2024

Merge branch 'main' into multistatereporter_variable_pos_frequency
mikemhenry
authored

Commits on Jan 7, 2025

Merge branch 'main' into multistatereporter_variable_pos_frequency
dotsdl
authored