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Commit c8e1d650 authored by Martina Stella's avatar Martina Stella
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adding new feat. for TS

parent f7d48022
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......@@ -750,6 +750,7 @@
"description": "ts_forces_final",
"dtypeStr": "C",
"name": "x_castep_ts_forces_final_store",
"repeats": true,
"shape": [],
"superNames": [
"x_castep_section_ts_final_store"
......@@ -758,6 +759,7 @@
"description": "ts_energy_forces_pro_store",
"dtypeStr": "C",
"name": "x_castep_ts_forces_pro_store",
"repeats": true,
"shape": [],
"superNames": [
"x_castep_section_ts_product_store"
......@@ -777,6 +779,7 @@
"description": "ts_energy_positions_final",
"dtypeStr": "C",
"name": "x_castep_ts_positions_final_store",
"repeats": true,
"shape": [],
"superNames": [
"x_castep_section_ts_final_store"
......@@ -785,6 +788,7 @@
"description": "ts_energy_positions_pro_store",
"dtypeStr": "C",
"name": "x_castep_ts_positions_pro_store",
"repeats": true,
"shape": [],
"superNames": [
"x_castep_section_ts_product_store"
......@@ -862,6 +866,7 @@
"description": "ts_cell_vectors_final",
"dtypeStr": "C",
"name": "x_castep_ts_cell_vectors_final_store",
"repeats": true,
"shape": [],
"superNames": [
"x_castep_section_ts_final_store"
......@@ -870,6 +875,7 @@
"description": "ts_cell_vectors_pro",
"dtypeStr": "C",
"name": "x_castep_ts_cell_vectors_pro_store",
"repeats": true,
"shape": [],
"superNames": [
"x_castep_section_ts_product_store"
......
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