pychum.engine.eon#

Submodules#

Classes#

Package Contents#

class pychum.engine.eon.NWChemAtom[source]#
symbol: str#
x: float#
y: float#
z: float#
class pychum.engine.eon.NWChemSocketConfig[source]#
atoms: list[NWChemAtom]#
settings_path: pathlib.Path#
socket_address: str#
unix_mode: bool = False#
mem_in_gb: int = 2#
output_path: pathlib.Path#
class pychum.engine.eon.NWChemRenderer(config: pychum.engine.eon._dataclasses.NWChemSocketConfig)[source]#
config#
env#
render(template_name: str)[source]#