"Kevin" Seung Whan Chung
"Kevin" Seung Whan Chung
It is observed from LC quartz that the current mgmol is not compatible with gcc 12.1.1. Below is the module list on quartz: ``` Currently Loaded Modules: 1) jobutils/1.0 2)...
- `fd` module provides high-order, summation-by-parts finite-difference operators. - This is proven to approximate time derivative better. - `sindy.compute_sindy_data` is replaced with `sindy.compute_time_derivative` - `compute_time_derivative` returns the time-derivative array with...
This issue corresponds to the legacy code. The work-in-progress python package has already applied the fix for this issue. The legacy code currently solves SINDY using the outdated torch/numpy routines...
This PR implements ion density evaluation on sampled grid points, for hyper-reduction of right-hand side of Hartree potential equation. - `Potentials::evalIonDensityOnSamplePts`, `Potentials::initializeRadialDataOnSampledPts` evaluate ion density on specified sampled grid indices....
This PR must be merged after PR #9 . Using [DistributedDataParallel](https://pytorch.org/docs/stable/generated/torch.nn.parallel.DistributedDataParallel.html#torch.nn.parallel.DistributedDataParallel) for data parallelism requires access to encoder and decoder as a `torch.nn.Module`. Current `Autoencoder` class provide `encoder` and `decoder`...
# Restart capability The workflow now supports restart capability, saving/loading necessary data to/from a restart file. - Following classes support `export` and `load` function, which saves/loads from a dictionary: -...