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

  1. 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