westpa
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Allow w_init to save bin_mapper stuff to iteration 1
Issue Number
Describe the changes made
Logic for w_init
is different to w_run
in that it doesn't save the bin mapper for iteration 1. This new PR will result in a behavior where bin_target_count
dataset and corresponding bin_topology
hash/pickle will be created for iteration 1.
Goals and Outstanding Issues
- [x] Make iteration 1 more consistent with later iterations
Major files changed
- [x] src/westpa/core/sim_manager.py
Status
- [x] Bug fix (non-breaking change which fixes an issue)
- [x] New feature (non-breaking change which adds functionality)
- [x] Breaking change (fix or feature that would cause existing functionality to change)
- [x] I have read the CONTRIBUTING document.
- [x] My code follows the code style of this project.
- [x] My change requires a change to the documentation.
- [x] I have updated the documentation accordingly.
- [x] All new and existing tests passed.