Options

class psi4.core.Options

Bases: pybind11_object

docstring

Methods Summary

add_array(self, arg0)	add array option
add_bool(self, arg0, arg1)	add bool option
add_int(self, arg0, arg1)	add int option
add_str(self, arg0, arg1, arg2)	add string option
add_str_i(self, arg0, arg1, arg2)	add string option
get_bool(self, arg0)	get boolean option
get_current_module(self)	gets current module
get_double(self, arg0)	get double option
get_int(self, arg0)	get integer option
get_int_vector(self, arg0)	get int vector option
get_str(*args, **kwargs)	Overloaded function.
print_global_options(self)	print the global, cross-module options
print_module_options(self)	print global and local options prepared for current module
read_globals(self)	expert
set_array(self, arg0, arg1)	set array option
set_bool(self, arg0, arg1, arg2)	set bool option
set_current_module(self, arg0)	sets arg0 (all CAPS) as current module
set_double(self, arg0, arg1, arg2)	set double option
set_int(self, arg0, arg1, arg2)	set int option
set_read_globals(self, arg0)	expert
set_str(self, arg0, arg1, arg2)	set string option
set_str_i(self, arg0, arg1, arg2)	set string option
validate_options(self)	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

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

get string option

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

print the global, cross-module options

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

print global and local options prepared for current module

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