Commit ccfeef80 authored by martina stella's avatar martina stella
Browse files

fixig ts bug

parent d2c0062b
......@@ -790,9 +790,10 @@
"x_castep_section_ts_product_store"
]
}, {
"description": "ts_energy_positions_pro",
"description": "ts_energy_positions_pro",
"dtypeStr": "f",
"name": "x_castep_ts_positions_product",
"repeats": true,
"shape": [
"number_of_atoms",
3
......@@ -836,6 +837,7 @@
"description": "ts_cell_vectors",
"dtypeStr": "f",
"name": "x_castep_ts_cell_vectors",
"repeats": true,
"shape": [
3,
3
......@@ -847,6 +849,7 @@
"description": "ts_cell_vectors",
"dtypeStr": "f",
"name": "x_castep_ts_cell_vectors_final",
"repeats": true,
"shape": [
3,
3
......@@ -874,6 +877,7 @@
"description": "ts_product_cell_vectors",
"dtypeStr": "f",
"name": "x_castep_ts_cell_vectors_product",
"repeats": true,
"shape": [
3,
3
......@@ -917,6 +921,7 @@
"description": "ts_positions",
"dtypeStr": "f",
"name": "x_castep_ts_positions",
"repeats": true,
"shape": [
"number_of_atoms",
3
......@@ -928,6 +933,7 @@
"description": "ts_positions_final",
"dtypeStr": "f",
"name": "x_castep_ts_positions_final",
"repeats": true,
"shape": [
"number_of_atoms",
3
......@@ -955,6 +961,7 @@
"description": "ts_forces",
"dtypeStr": "f",
"name": "x_castep_ts_forces",
"repeats": true,
"shape": [
"number_of_atoms",
3
......@@ -966,8 +973,9 @@
"description": "ts_force_finals",
"dtypeStr": "f",
"name": "x_castep_ts_forces_final",
"repeats": true,
"shape": [
"number_of_atoms",
"number_of_atoms",
3
],
"superNames": [
......
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