Commit 78438bb8 authored by Pardini, Lorenzo (lopa)'s avatar Pardini, Lorenzo (lopa)
Browse files

fixed bug with atom positions

parent dec0914b
...@@ -421,8 +421,7 @@ ...@@ -421,8 +421,7 @@
"shape": [], "shape": [],
"superNames": [ "superNames": [
"x_exciting_section_atoms_group" "x_exciting_section_atoms_group"
], ]
"units": "m"
}, { }, {
"description": "y component of atomic position", "description": "y component of atomic position",
"dtypeStr": "f", "dtypeStr": "f",
...@@ -431,8 +430,7 @@ ...@@ -431,8 +430,7 @@
"shape": [], "shape": [],
"superNames": [ "superNames": [
"x_exciting_section_atoms_group" "x_exciting_section_atoms_group"
], ]
"units": "m"
}, { }, {
"description": "z component of atomic position", "description": "z component of atomic position",
"dtypeStr": "f", "dtypeStr": "f",
...@@ -441,8 +439,7 @@ ...@@ -441,8 +439,7 @@
"shape": [], "shape": [],
"superNames": [ "superNames": [
"x_exciting_section_atoms_group" "x_exciting_section_atoms_group"
], ]
"units": "m"
}, { }, {
"description": "x component of lattice vector", "description": "x component of lattice vector",
"dtypeStr": "f", "dtypeStr": "f",
...@@ -777,7 +774,14 @@ ...@@ -777,7 +774,14 @@
"superNames": [ "superNames": [
"section_system" "section_system"
] ]
}, { },{
"description": "whether the atomic positions are given in cartesian or vector coordinates",
"dtypeStr": "C",
"name": "x_exciting_atom_position_format",
"superNames": [
"x_exciting_section_atoms_group"
]
}, {
"description": "Maximum number of plane-waves", "description": "Maximum number of plane-waves",
"dtypeStr": "i", "dtypeStr": "i",
"name": "x_exciting_pw", "name": "x_exciting_pw",
......
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