Paul R. C. Kent
Paul R. C. Kent
@aannabe let us know what you find. I am not sure if, e.g. NEXUS will drive this batched observable or if a small update is needed.
@jtkrogel Comments on preferred route?
I suggest to add the runtime option next. Then adapt code starting at the lowest levels of the app that connects to it, as per the other tasks. There are...
These are all reasonable candidates. I would suggest ProjectData, but whatever turns out to be not too inconvenient is fine by me. There are a few too many too level...
Also related to https://github.com/QMCPACK/qmcpack/issues/4062 , which could be split when this is completed.
Please steer clear of the "wavefunction tester" for new tests. It is another layer of indirection and uncertainty to investigate when something goes wrong. A test of traces would be...
Renamed for clarity.
It is fairly up to date. Since this indexing issue was created we have added use of codecov, which also is a good guide to where tests might be missing....
Hi Leon - Thanks very much for this. As Ye wrote it would be helpful if you can break this into smaller pieces. I do have one small question -...
https://github.com/QMCPACK/qmcpack/blob/develop/src/QMCWaveFunctions/Jastrow/JeeIOrbitalSoA.h#L980