psi4

Compute ESP and electric field data using Psi4

Classes

Psi4ESPGenerator

An class which will compute the electrostatic potential of a molecule using Psi4.

SYMBOLS

dict() -> new empty dictionary dict(mapping) -> new dictionary initialized from a mapping object's (key, value) pairs dict(iterable) -> new dictionary initialized as if via: d = {} for k, v in iterable: d[k] = v dict(**kwargs) -> new dictionary initialized with the name=value pairs in the keyword argument list. For example: dict(one=1, two=2).

TYPE_CHECKING

bool(x) -> bool

`Psi4ESPGenerator`	An class which will compute the electrostatic potential of a molecule using Psi4.
`SYMBOLS`	dict() -> new empty dictionary dict(mapping) -> new dictionary initialized from a mapping object's (key, value) pairs dict(iterable) -> new dictionary initialized as if via: d = {} for k, v in iterable: d[k] = v dict(**kwargs) -> new dictionary initialized with the name=value pairs in the keyword argument list. For example: dict(one=1, two=2).
`TYPE_CHECKING`	bool(x) -> bool