Hybrid representation does not support or detect overlapping muffin tins
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bug
- Dominant language
- C++
- Stars
- 403
- Forks
- 154
- Avg merge
- 1d 12h
- Merged PRs (30d)
- 82
Description
**Describe the bug**
The evaluation of the hybrid representation does not seem to support overlapping muffin tins. The code should either abort if any overlap or the code should be extended to support this case. Given the physical motivation behind the representation, the first seems easiest and should cover nearly all use cases.
**To Reproduce**
Non-variational energies can be found in VMC with large rcut
**Expected behavior**
Abort or consistent energies
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