deepmd.utils.update_sel

Module Contents

Classes

BaseUpdateSel

Update the sel field in the descriptor.

Attributes

log

deepmd.utils.update_sel.log[source]
class deepmd.utils.update_sel.BaseUpdateSel[source]

Update the sel field in the descriptor.

abstract property neighbor_stat: Type[deepmd.utils.neighbor_stat.NeighborStat][source]
update_one_sel(jdata, descriptor, mixed_type: bool = False, rcut_key='rcut', sel_key='sel')[source]
parse_auto_sel(sel)[source]
parse_auto_sel_ratio(sel)[source]
wrap_up_4(xx)[source]
get_sel(jdata, rcut, mixed_type: bool = False)[source]
get_rcut(jdata)[source]
get_type_map(jdata)[source]
get_nbor_stat(jdata, rcut, mixed_type: bool = False)[source]
abstract hook(min_nbor_dist, max_nbor_size)[source]
get_min_nbor_dist(jdata, rcut)[source]