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nomad-meta-info
nomad-meta-info
Commit 85f707c2 authored by Berk Onat's avatar Berk Onat
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Fixing meta info of io files of parser-tinker.

parent 6e8075f8
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Showing with 13 additions and 13 deletions
meta_info/nomad_meta_info/tinker.nomadmetainfo.json
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......@@ -448,7 +448,7 @@
"shape": [],
"superNames": [
"section_run",
"x_tinker_section_input_output_files"
"x_tinker_section_control_parameters"
]
}, {
"description": "tinker output trajectory file.",
......@@ -457,7 +457,7 @@
"shape": [],
"superNames": [
"section_run",
"x_tinker_section_input_output_files"
"x_tinker_section_control_parameters"
]
}, {
"description": "tinker output trajectory file.",
......@@ -466,7 +466,7 @@
"shape": [],
"superNames": [
"section_run",
"x_tinker_section_input_output_files"
"x_tinker_section_control_parameters"
]
}, {
"description": "tinker output file for velocities in the trajectory.",
......@@ -475,7 +475,7 @@
"shape": [],
"superNames": [
"section_run",
"x_tinker_section_input_output_files"
"x_tinker_section_control_parameters"
]
}, {
"description": "tinker output file for forces in the trajectory.",
......@@ -484,7 +484,7 @@
"shape": [],
"superNames": [
"section_run",
"x_tinker_section_input_output_files"
"x_tinker_section_control_parameters"
]
}, {
"description": "tinker output coordinates file.",
......@@ -493,7 +493,7 @@
"shape": [],
"superNames": [
"section_run",
"x_tinker_section_input_output_files"
"x_tinker_section_control_parameters"
]
}, {
"description": "tinker output velocities file.",
......@@ -502,7 +502,7 @@
"shape": [],
"superNames": [
"section_run",
"x_tinker_section_input_output_files"
"x_tinker_section_control_parameters"
]
}, {
"description": "tinker output forces file.",
......@@ -511,7 +511,7 @@
"shape": [],
"superNames": [
"section_run",
"x_tinker_section_input_output_files"
"x_tinker_section_control_parameters"
]
}, {
"description": "tinker input coordinates file.",
......@@ -520,7 +520,7 @@
"shape": [],
"superNames": [
"section_run",
"x_tinker_section_input_output_files"
"x_tinker_section_control_parameters"
]
}, {
"description": "tinker input velocities file.",
......@@ -529,7 +529,7 @@
"shape": [],
"superNames": [
"section_run",
"x_tinker_section_input_output_files"
"x_tinker_section_control_parameters"
]
}, {
"description": "tinker restart coordinates file.",
......@@ -538,7 +538,7 @@
"shape": [],
"superNames": [
"section_run",
"x_tinker_section_input_output_files"
"x_tinker_section_control_parameters"
]
}, {
"description": "tinker restart velocities file.",
......@@ -547,7 +547,7 @@
"shape": [],
"superNames": [
"section_run",
"x_tinker_section_input_output_files"
"x_tinker_section_control_parameters"
]
}, {
"description": "tinker MD output log file.",
......@@ -556,7 +556,7 @@
"shape": [],
"superNames": [
"section_run",
"x_tinker_section_input_output_files"
"x_tinker_section_control_parameters"
]
}, {
"description": "Parameters of mdin belonging to x_tinker_section_control_parameters.",
......
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