Cody Melton
Cody Melton
Please review the [developer documentation](https://github.com/QMCPACK/qmcpack/wiki/Development-workflow) on the wiki of this project that contains help and requirements. ## Proposed changes Part of #3712, this adds a unit test for DiracDeterminantBatched for...
**Is your feature request related to a problem? Please describe.** Below is a checklist to help me keep track of what is done for the SO capability in the batched...
Please review the [developer documentation](https://github.com/QMCPACK/qmcpack/wiki/Development-workflow) on the wiki of this project that contains help and requirements. ## Proposed changes This PR incorporates #4234 to implement mw_evalGradWithSpin for DiracDeterminantBatched. In this...
Please review the [developer documentation](https://github.com/QMCPACK/qmcpack/wiki/Development-workflow) on the wiki of this project that contains help and requirements. ## Proposed changes add implementation of MatrixUpdateOMPTarget::mw_evalGradWithSpin. Currently it isn't used, but will be...
Please review the [developer documentation](https://github.com/QMCPACK/qmcpack/wiki/Development-workflow) on the wiki of this project that contains help and requirements. ## Proposed changes This PR fixes a longstanding problem with SOC. Traditionally, due to...
Issue to track all the variations of splines and whether or not they support orbital rotation **Normal Splines** - [x] SplineR2R (#3907, #4710) - [ ] SplineC2R - [x] SplineC2C...
**Is your feature request related to a problem? Please describe.** MatrixDelayedUpdateCUDA currently has a throw stating it needs an implementation of mw_evalGradWithSpin. Once this is implemented, need to remove guard...
**Describe the bug** develop branch seems to have a bug, at least on my mac. I haven't been able to reproduce it anywhere else. Looks like a BUS error on...
CI coefficients could be complex, and therefore we should be able to optimize both the real and imaginary parts of the coefficients. As the code currently stands, we only optimize...
**Is your feature request related to a problem? Please describe.** Currently, mw_ APIs aren't implemented including the spin gradients. If MSD are used in batched code with spinors, evaluation will...