Related Issues (20)
- Extracting the ACE descriptors out of PyACE HOT 2
- number_of_functions_per_element HOT 8
- use pace potential in pyiron
- continue fitting HOT 6
- lost atom when runing lammps HOT 5
- computing Basis functions HOT 1
- ladder_step, cycle_step and iter_num HOT 1
- fitting convergence slow HOT 7
- Some questions about some parameters in input.yaml::potential HOT 9
- pace_select --memory-limit does not work properly
- Issues when running LAMMPS with ACE HOT 2
- - HOT 1
- Large Force Errors HOT 5
- specifying embedding-function for PyACECalculator HOT 1
- [feature request] OpenMP support for LAMMPS ML-PACE HOT 5
- Suggestions for interfacing with RMC HOT 4
- Try to continue fitting part of the potential
- YAML safe_load has been removed HOT 3
- Run PyACECalculator on GPU. HOT 2
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from python-ace.