Options

class psi4.core.Options

Bases: object

docstring

Methods Summary

add_array((self: psi4.core.Options, …) add array option
add_bool((self: psi4.core.Options, …) add bool option
add_int((self: psi4.core.Options, arg0: str, …) add int option
add_str((self: psi4.core.Options, arg0: str, …) add string option
add_str_i((self: psi4.core.Options, …) add string option
get_bool((self: psi4.core.Options, …) get boolean option
get_current_module(…) gets current module
get_double((self: psi4.core.Options, …) get double option
get_int((self: psi4.core.Options, …) get integer option
get_int_vector((self: psi4.core.Options, …) get int vector option
get_str(*args, **kwargs) Overloaded function.
read_globals((self: psi4.core.Options) -> bool) expert
set_array((self: psi4.core.Options, …) set array option
set_bool((self: psi4.core.Options, …) set bool option
set_current_module((self: psi4.core.Options, …) sets arg0 (all CAPS) as current module
set_double((self: psi4.core.Options, …) set double option
set_int((self: psi4.core.Options, arg0: str, …) set int option
set_read_globals((self: psi4.core.Options, …) expert
set_str((self: psi4.core.Options, arg0: str, …) set string option
set_str_i((self: psi4.core.Options, …) set string option
validate_options(…) validate options for arg0 module

Methods Documentation

add_array(self: psi4.core.Options, arg0: str) → None

add array option

add_bool(self: psi4.core.Options, arg0: str, arg1: bool) → None

add bool option

add_int(self: psi4.core.Options, arg0: str, arg1: int) → None

add int option

add_str(self: psi4.core.Options, arg0: str, arg1: str, arg2: str) → None

add string option

add_str_i(self: psi4.core.Options, arg0: str, arg1: str, arg2: str) → None

add string option

get_bool(self: psi4.core.Options, arg0: str) → bool

get boolean option

get_current_module(self: psi4.core.Options) → str

gets current module

get_double(self: psi4.core.Options, arg0: str) → float

get double option

get_int(self: psi4.core.Options, arg0: str) → int

get integer option

get_int_vector(self: psi4.core.Options, arg0: str) → List[int]

get int vector option

get_str(*args, **kwargs)

Overloaded function.

  1. get_str(self: psi4.core.Options, arg0: str) -> str

get string option

  1. get_str(self: psi4.core.Options, arg0: str) -> str

get string option

read_globals(self: psi4.core.Options) → bool

expert

set_array(self: psi4.core.Options, arg0: str, arg1: str) → None

set array option

set_bool(self: psi4.core.Options, arg0: str, arg1: str, arg2: bool) → None

set bool option

set_current_module(self: psi4.core.Options, arg0: str) → None

sets arg0 (all CAPS) as current module

set_double(self: psi4.core.Options, arg0: str, arg1: str, arg2: float) → None

set double option

set_int(self: psi4.core.Options, arg0: str, arg1: str, arg2: int) → None

set int option

set_read_globals(self: psi4.core.Options, arg0: bool) → None

expert

set_str(self: psi4.core.Options, arg0: str, arg1: str, arg2: str) → None

set string option

set_str_i(self: psi4.core.Options, arg0: str, arg1: str, arg2: str) → None

set string option

validate_options(self: psi4.core.Options) → None

validate options for arg0 module

add_array(self: psi4.core.Options, arg0: str) → None

add array option

add_bool(self: psi4.core.Options, arg0: str, arg1: bool) → None

add bool option

add_int(self: psi4.core.Options, arg0: str, arg1: int) → None

add int option

add_str(self: psi4.core.Options, arg0: str, arg1: str, arg2: str) → None

add string option

add_str_i(self: psi4.core.Options, arg0: str, arg1: str, arg2: str) → None

add string option

get_bool(self: psi4.core.Options, arg0: str) → bool

get boolean option

get_current_module(self: psi4.core.Options) → str

gets current module

get_double(self: psi4.core.Options, arg0: str) → float

get double option

get_int(self: psi4.core.Options, arg0: str) → int

get integer option

get_int_vector(self: psi4.core.Options, arg0: str) → List[int]

get int vector option

get_str(*args, **kwargs)

Overloaded function.

  1. get_str(self: psi4.core.Options, arg0: str) -> str

get string option

  1. get_str(self: psi4.core.Options, arg0: str) -> str

get string option

read_globals(self: psi4.core.Options) → bool

expert

set_array(self: psi4.core.Options, arg0: str, arg1: str) → None

set array option

set_bool(self: psi4.core.Options, arg0: str, arg1: str, arg2: bool) → None

set bool option

set_current_module(self: psi4.core.Options, arg0: str) → None

sets arg0 (all CAPS) as current module

set_double(self: psi4.core.Options, arg0: str, arg1: str, arg2: float) → None

set double option

set_int(self: psi4.core.Options, arg0: str, arg1: str, arg2: int) → None

set int option

set_read_globals(self: psi4.core.Options, arg0: bool) → None

expert

set_str(self: psi4.core.Options, arg0: str, arg1: str, arg2: str) → None

set string option

set_str_i(self: psi4.core.Options, arg0: str, arg1: str, arg2: str) → None

set string option

validate_options(self: psi4.core.Options) → None

validate options for arg0 module