Getting Started:
User Guide:
Examples:
API Documentation:
settings
Database
DirectoryDatabase
GraphModule
IdxType
NPZDatabase
Predictor
active_directory()
hierarchical_energy_initialization()
load_checkpoint()
load_checkpoint_from_cwd()
load_model_from_cwd()
log_terminal()
make_ensemble()
reload_settings()
set_custom_kernels()
setup_and_train()
setup_training()
test_model()
train_model()
SpeciesLookup
calculate_adf()
calculate_rdf()
cg_one_average()
cg_one_center_of_geometry_pbc()
cg_one_center_of_mass_pbc()
cg_one_mass_weighted_average()
cg_one_sum()
coarse_grain_all()
write_extxyz()
SpeciesLookup.name_to_number()
SpeciesLookup.number_to_name()
Full Documentation for hippynn.molecular_dynamics.misc module. Click here for a summary page.
hippynn.molecular_dynamics.misc
Bases: object
object