Commit 16f6fb87 authored by Lauri Himanen's avatar Lauri Himanen
Browse files

Some renamings.

parent 80aafeac
...@@ -3432,7 +3432,7 @@ ...@@ -3432,7 +3432,7 @@
"derived": true, "derived": true,
"description": "Gives a mapping table of atoms to symmetrically independent atoms in the original cell. This is used to find symmetrically equivalent atoms.", "description": "Gives a mapping table of atoms to symmetrically independent atoms in the original cell. This is used to find symmetrically equivalent atoms.",
"dtypeStr": "i", "dtypeStr": "i",
"name": "original_equivalent_atoms", "name": "equivalent_atoms_original",
"shape": [ "shape": [
"number_of_atoms" "number_of_atoms"
], ],
...@@ -3443,7 +3443,7 @@ ...@@ -3443,7 +3443,7 @@
"derived": true, "derived": true,
"description": "Wyckoff letters for atoms in the original cell.", "description": "Wyckoff letters for atoms in the original cell.",
"dtypeStr": "C", "dtypeStr": "C",
"name": "original_wyckoff_letters", "name": "wyckoff_letters_original",
"shape": [ "shape": [
"number_of_atoms" "number_of_atoms"
], ],
...@@ -3472,9 +3472,9 @@ ...@@ -3472,9 +3472,9 @@
"derived": true, "derived": true,
"description": "Atomic numbers in the primitive cell.", "description": "Atomic numbers in the primitive cell.",
"dtypeStr": "i", "dtypeStr": "i",
"name": "primitive_atomic_numbers", "name": "atomic_numbers_primitive",
"shape": [ "shape": [
"primitive_number_of_atoms" "number_of_atoms_primitive"
], ],
"superNames": [ "superNames": [
"section_primitive_system" "section_primitive_system"
...@@ -3483,9 +3483,9 @@ ...@@ -3483,9 +3483,9 @@
"derived": true, "derived": true,
"description": "Gives a mapping table of atoms to symmetrically independent atoms in the primitive cell. This is used to find symmetrically equivalent atoms.", "description": "Gives a mapping table of atoms to symmetrically independent atoms in the primitive cell. This is used to find symmetrically equivalent atoms.",
"dtypeStr": "i", "dtypeStr": "i",
"name": "primitive_equivalent_atoms", "name": "equivalent_atoms_primitive",
"shape": [ "shape": [
"primitive_number_of_atoms" "number_of_atoms_primitive"
], ],
"superNames": [ "superNames": [
"section_primitive_system" "section_primitive_system"
...@@ -3494,7 +3494,7 @@ ...@@ -3494,7 +3494,7 @@
"derived": true, "derived": true,
"description": "Primitive lattice vectors. The vectors are the rows of this matrix.", "description": "Primitive lattice vectors. The vectors are the rows of this matrix.",
"dtypeStr": "f", "dtypeStr": "f",
"name": "primitive_lattice", "name": "lattice_vectors_primitive",
"shape": [ "shape": [
3, 3,
3 3
...@@ -3507,9 +3507,9 @@ ...@@ -3507,9 +3507,9 @@
"derived": true, "derived": true,
"description": "Atom positions in the primitive cell in reduced units.", "description": "Atom positions in the primitive cell in reduced units.",
"dtypeStr": "f", "dtypeStr": "f",
"name": "primitive_positions", "name": "atom_positions_primitive",
"shape": [ "shape": [
"primitive_number_of_atoms", "number_of_atoms_primitive",
3 3
], ],
"superNames": [ "superNames": [
...@@ -3519,9 +3519,9 @@ ...@@ -3519,9 +3519,9 @@
"derived": true, "derived": true,
"description": "Wyckoff letters for atoms in the primitive cell.", "description": "Wyckoff letters for atoms in the primitive cell.",
"dtypeStr": "C", "dtypeStr": "C",
"name": "primitive_wyckoff_letters", "name": "wyckoff_letters_primitive",
"shape": [ "shape": [
"primitive_number_of_atoms" "number_of_atoms_primitive"
], ],
"superNames": [ "superNames": [
"section_primitive_system" "section_primitive_system"
...@@ -3539,9 +3539,9 @@ ...@@ -3539,9 +3539,9 @@
"derived": true, "derived": true,
"description": "Atomic numbers of the atoms in the standardized cell.", "description": "Atomic numbers of the atoms in the standardized cell.",
"dtypeStr": "i", "dtypeStr": "i",
"name": "std_atomic_numbers", "name": "atomic_numbers_std",
"shape": [ "shape": [
"number_of_atoms" "number_of_atoms_std"
], ],
"superNames": [ "superNames": [
"section_std_system" "section_std_system"
...@@ -3550,18 +3550,18 @@ ...@@ -3550,18 +3550,18 @@
"derived": true, "derived": true,
"description": "Gives a mapping table of atoms to symmetrically independent atoms in the standardized cell. This is used to find symmetrically equivalent atoms.", "description": "Gives a mapping table of atoms to symmetrically independent atoms in the standardized cell. This is used to find symmetrically equivalent atoms.",
"dtypeStr": "i", "dtypeStr": "i",
"name": "std_equivalent_atoms", "name": "equivalent_atoms_std",
"shape": [ "shape": [
"std_number_of_atoms" "number_of_atoms_std"
], ],
"superNames": [ "superNames": [
"section_std_system" "section_std_system"
] ]
}, { }, {
"derived": true, "derived": true,
"description": "Standardized lattice vectors of the conventional cell chosen as described in https://atztogo.github.io/spglib/definition.html#def-standardized-unit-cell. The vectors are the rows of this matrix.", "description": "Standardized lattice vectors of the conventional cell. The vectors are the rows of this matrix.",
"dtypeStr": "f", "dtypeStr": "f",
"name": "std_lattice", "name": "lattice_vectors_std",
"shape": [ "shape": [
3, 3,
3 3
...@@ -3574,7 +3574,7 @@ ...@@ -3574,7 +3574,7 @@
"derived": true, "derived": true,
"description": "Standardized atom positions in reduced units.", "description": "Standardized atom positions in reduced units.",
"dtypeStr": "f", "dtypeStr": "f",
"name": "std_positions", "name": "atom_positions_std",
"shape": [ "shape": [
"number_of_atoms_std", "number_of_atoms_std",
3 3
...@@ -3586,9 +3586,9 @@ ...@@ -3586,9 +3586,9 @@
"derived": true, "derived": true,
"description": "Wyckoff letters for atoms in the standardized cell.", "description": "Wyckoff letters for atoms in the standardized cell.",
"dtypeStr": "C", "dtypeStr": "C",
"name": "std_wyckoff_letters", "name": "wyckoff_letters_std",
"shape": [ "shape": [
"std_number_of_atoms" "number_of_atoms_std"
], ],
"superNames": [ "superNames": [
"section_std_system" "section_std_system"
......
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