Recherche

nat Labels of atoms in the unit cell. moment ndarray ; dtype= float32 , shape= nat Atomic moment of every atom of the unit cell. nat int Number of atoms in the unit cell. ndist int Number of distinct distances ... PyCrysFML08 Functions atm_cell_type is mostly used for distance-angle and bond-valence calculations. It holds the position and ...

Dictionaries List of PyCrysFML08 Functions cell_g_type is an extension of cell_type . It describes the crystal unit cell. It can be created with function set_ crystal_cell . Key Value Description bl_m ndarray ... shape= 3 Reciprocal cell angles: alpha*, beta* and gamma* rcell ndarray ; dtype= float32 , shape= 3 Reciprocal cell dimensions: a*,b*,c* ...

Dictionaries List of PyCrysFML08 Functions cell_g_type is an extension of cell_type . It describes the crystal unit cell. It can be created with function set_ crystal_cell . Key Value Description bl_m ndarray ... shape= 3 Reciprocal cell angles: alpha*, beta* and gamma* rcell ndarray ; dtype= float32 , shape= 3 Reciprocal cell dimensions: a*,b*,c* ...

PyCrysFML08 Dictionaries List of PyCrysFML08 Functions cell_gls_type is an extension of cell_g_type . It can be created with function set_ crystal_cell . Key Value Description lcell ndarray ; dtype= int32

PyCrysFML08 Dictionaries List of PyCrysFML08 Functions cell_gls_type is an extension of cell_g_type . It can be created with function set_ crystal_cell . Key Value Description lcell ndarray ; dtype= int32

Reference Home List of PyCrysFML08 Dictionaries List of PyCrysFML08 Functions cell_ls_type is an extension of cell_type . Key Value Description lcell ndarray ; dtype= int32 , shape= 3 Codes for refining

Reference Home List of PyCrysFML08 Dictionaries List of PyCrysFML08 Functions cell_ls_type is an extension of cell_type . Key Value Description lcell ndarray ; dtype= int32 , shape= 3 Codes for refining

Functions cell_type is the base class for the different cell types used by CrysFML: cell_g_type , cell_ls_type, cell_gls_type. Key Value Description ang ndarray ; dtype= float32 , shape= 3 Cell angles: alpha ... alpha, beta and gamma cell ndarray ; dtype= float32 , shape= 3 Cell dimensions: a,b,c sang ndarray ; dtype= float32 , shape= 3 Standard ...

Functions cell_type is the base class for the different cell types used by CrysFML: cell_g_type , cell_ls_type, cell_gls_type. Key Value Description ang ndarray ; dtype= float32 , shape= 3 Cell angles: alpha ... alpha, beta and gamma cell ndarray ; dtype= float32 , shape= 3 Cell dimensions: a,b,c sang ndarray ; dtype= float32 , shape= 3 Standard ...

Cartesian components of cell parameter a. b ndarray ; dtype= float32 , shape= 3 Cartesian components of cell parameter b. c ndarray ; dtype= float32 , shape= 3 Cartesian components of cell parameter c. caxes