Yubo "Paul" Yang
Yubo "Paul" Yang
**Problem** `OHMMS_DIM` is planned for obsolescence. With its removal, all code snippets for true 2D calculation will be history. **Proposed Solution** Enable true 2D calculation via xml input. **To-do List:**...
## Proposed changes Repurpose unused input "record_configs" to set frequency of dumping walkers for post-processing. Example input of a simple harmonic oscillator [tb38_msho.zip](https://github.com/QMCPACK/qmcpack/files/14949901/tb38_msho.zip) A normal checkpoint file `{prefix}.config.h5` is overwritten...
**Describe the bug** When running the sum of 2 non-orthogonal Slater determinants using the `msd_fast` object (`MultiSlaterDetTableMethod`). I get a 15x slow down compare to the single determinant run, instead...
**Describe the bug** When `EnergyDensity` estimator is requested, the `heg_14_gamma` example seg. faults. **To Reproduce** Steps to reproduce the behavior: 1. add `EnergyDensity` estimator (and `ion0`) to `heg_14_gamma` VMC example....
**Describe the bug** When traces are active, only serial run finishes, otherwise the program crashes. vmc.xml puts 1 up and 1 down electron into a box at rs=30 with the...