Closed arm61 closed 6 years ago
Changes Missing Coverage | Covered Lines | Changed/Added Lines | % | ||
---|---|---|---|---|---|
pylj/md.py | 6 | 12 | 50.0% | ||
pylj/util.py | 2 | 8 | 25.0% | ||
pylj/pairwise.py | 37 | 56 | 66.07% | ||
<!-- | Total: | 50 | 81 | 61.73% | --> |
Files with Coverage Reduction | New Missed Lines | % | ||
---|---|---|---|---|
pylj/sample.py | 2 | 100.0% | ||
<!-- | Total: | 2 | --> |
Totals | |
---|---|
Change from base Build 135: | -5.3% |
Covered Lines: | 249 |
Relevant Lines: | 309 |
This most recent push gets rid of the need for only 2 constants
This adds the ability to customise the potential model (currently we only support forcefields that take two variables). Also there is now less reliance on the compiled modules