Better Guards Needed for Bad SPOSet Construction.
- Dominant language
- C++
- Stars
- 403
- Forks
- 154
- Avg merge
- 1d 13h
- Merged PRs (30d)
- 90
Description
**Describe the bug**
**To Reproduce**
We'll use QMCPACK/tests/solids/diamondC_1x1x1-Gaussian_pp_Tw_cplx/ system as test.
1.) Replace C_diamond-twist-third.wfj.xml with the attached XML
```
```
2.) Run. Should see that QMCPACK makes it all the way to VMC before segfaulting.
**Expected behavior**
Referencing a non-registered SPOSet should be detected at parse time and the code should abort. Instead, it gives no errors and actually makes it through a few SPOSet evaluate calls before segfaulting. The numbers coming out are also wrong.
**System:**
- Intel Xeon, RHEL 7.9
- gcc/9.2.0, openmpi/1.10.1, cmake/3.19.1, hdf5/1.10.4, git/2.10.1
Contributor guide
Assessment
This issue has not been assessed yet.