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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

change_setting_cell is used for change the setting of a given cell. function call r = change_setting_cell ( cell : dict , sett : ndarray | str , kwargs : dict ) Variable Type Description cell dict The unit ... unit cell to which apply the setting change. It must be a dictionary of type cell_g_type or cell_gls_type . It can be generated with the ...

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* ...

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 ...

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

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 ...

outer membrane by destabilizing LPS interactions, leading to irreparable damage and cell death. But how does this work? Cell membranes are approximately five nanometres thick, which make detailed atomic-scale ... antibiotics, making Gram-negative bacteria a special concern. The outer membrane differs from typical cell membranes, consisting of ...

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 ...

change_setting_cell is used for change the setting of a given cell. function call r = change_setting_cell ( cell : dict , sett : ndarray | str , kwargs : dict ) Variable Type Description cell dict The unit ... unit cell to which apply the setting change. It must be a dictionary of type cell_g_type or cell_gls_type . It can be generated with the ...

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* ...