I already did this before. I have to add this model and modify the data class so that the code is not slow. This is related to issue #2. - [x] Build kernel matrix per atom. - [x] Train model with Cholesky. - [x] Compute just triangular kernel matrix to save computational time. - [x] Logging different parts of the tasks. - [x] Save/load parameters to file. - [x] Predictions. - [x] Clean up the code. - [x] Parallelization. - [ ] Make it possible to do a calc.get_potential_energy(atoms) in memory. - [ ] Support `sigma`per atom.
I already did this before. I have to add this model and modify the data class so that the code is not slow. This is related to issue #2.
sigmaper atom.