issues
search
proteneer
/
timemachine
Differentiate all the things!
Other
138
stars
17
forks
source link
Hardcode n_frames_per_iter to 1
#1325
Closed
mcwitt
closed
2 months ago
mcwitt
commented
2 months ago
Motivation
Methods to extract trajectories by replica currently assume
n_frames_per_iter==1
and will break otherwise
Since HREX now has minimal overhead, there's no clear use case for performing HREX moves less frequently than once per frame
Hardcoding
n_frames_per_iter = 1
allows removing some subtle logic that exists to handle edge cases
Motivation
n_frames_per_iter==1
and will break otherwisen_frames_per_iter = 1
allows removing some subtle logic that exists to handle edge cases