moyo_space_group_new

interface
public function moyo_space_group_new(prim_rotations, prim_translations, num_operations, basis, setting, hall_number, epsilon) result(space_group) bind(c, name="moyo_space_group_new"))

Arguments

Type	Attributes		Name
type(c_ptr),	value	::	prim_rotations
type(c_ptr),	value	::	prim_translations
integer(kind=c_int32_t),	value	::	num_operations
type(c_ptr),	value	::	basis
integer(kind=c_int32_t),	value	::	setting
integer(kind=c_int32_t),	value	::	hall_number
real(kind=c_double),	value	::	epsilon

Return Value type(c_ptr)

Description

Identify the space group from num_operations primitive rotations and translations; returns a pointer to MoyoSpaceGroup or NULL on failure. Pass c_null_ptr as basis to assume an identity basis and a negative epsilon to use the default tolerance (1e-4); hall_number is only used with MOYO_SETTING_HALL_NUMBER.

moyo_space_group_new Interface

Contents

interface
public function moyo_space_group_new(prim_rotations, prim_translations, num_operations, basis, setting, hall_number, epsilon) result(space_group) bind(c, name="moyo_space_group_new"))

Arguments

Return Value type(c_ptr)

Description

moyo_space_group_new Interface

Contents

interface public function moyo_space_group_new(prim_rotations, prim_translations, num_operations, basis, setting, hall_number, epsilon) result(space_group) bind(c, name="moyo_space_group_new"))

Arguments

Return Value type(c_ptr)

Description

interface
public function moyo_space_group_new(prim_rotations, prim_translations, num_operations, basis, setting, hall_number, epsilon) result(space_group) bind(c, name="moyo_space_group_new"))