Options¶

class psi4.core.Options¶

Bases: pybind11_builtins.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.

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

get string option

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

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.

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

get string option

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