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nomad-lab
nomad-meta-info
Commits
85f707c2
Commit
85f707c2
authored
Apr 10, 2018
by
Berk Onat
Browse files
Fixing meta info of io files of parser-tinker.
parent
6e8075f8
Changes
1
Pipelines
1
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meta_info/nomad_meta_info/tinker.nomadmetainfo.json
View file @
85f707c2
...
...
@@ -448,7 +448,7 @@
"shape"
:
[],
"superNames"
:
[
"section_run"
,
"x_tinker_section_
input_output_file
s"
"x_tinker_section_
control_parameter
s"
]
},
{
"description"
:
"tinker output trajectory file."
,
...
...
@@ -457,7 +457,7 @@
"shape"
:
[],
"superNames"
:
[
"section_run"
,
"x_tinker_section_
input_output_file
s"
"x_tinker_section_
control_parameter
s"
]
},
{
"description"
:
"tinker output trajectory file."
,
...
...
@@ -466,7 +466,7 @@
"shape"
:
[],
"superNames"
:
[
"section_run"
,
"x_tinker_section_
input_output_file
s"
"x_tinker_section_
control_parameter
s"
]
},
{
"description"
:
"tinker output file for velocities in the trajectory."
,
...
...
@@ -475,7 +475,7 @@
"shape"
:
[],
"superNames"
:
[
"section_run"
,
"x_tinker_section_
input_output_file
s"
"x_tinker_section_
control_parameter
s"
]
},
{
"description"
:
"tinker output file for forces in the trajectory."
,
...
...
@@ -484,7 +484,7 @@
"shape"
:
[],
"superNames"
:
[
"section_run"
,
"x_tinker_section_
input_output_file
s"
"x_tinker_section_
control_parameter
s"
]
},
{
"description"
:
"tinker output coordinates file."
,
...
...
@@ -493,7 +493,7 @@
"shape"
:
[],
"superNames"
:
[
"section_run"
,
"x_tinker_section_
input_output_file
s"
"x_tinker_section_
control_parameter
s"
]
},
{
"description"
:
"tinker output velocities file."
,
...
...
@@ -502,7 +502,7 @@
"shape"
:
[],
"superNames"
:
[
"section_run"
,
"x_tinker_section_
input_output_file
s"
"x_tinker_section_
control_parameter
s"
]
},
{
"description"
:
"tinker output forces file."
,
...
...
@@ -511,7 +511,7 @@
"shape"
:
[],
"superNames"
:
[
"section_run"
,
"x_tinker_section_
input_output_file
s"
"x_tinker_section_
control_parameter
s"
]
},
{
"description"
:
"tinker input coordinates file."
,
...
...
@@ -520,7 +520,7 @@
"shape"
:
[],
"superNames"
:
[
"section_run"
,
"x_tinker_section_
input_output_file
s"
"x_tinker_section_
control_parameter
s"
]
},
{
"description"
:
"tinker input velocities file."
,
...
...
@@ -529,7 +529,7 @@
"shape"
:
[],
"superNames"
:
[
"section_run"
,
"x_tinker_section_
input_output_file
s"
"x_tinker_section_
control_parameter
s"
]
},
{
"description"
:
"tinker restart coordinates file."
,
...
...
@@ -538,7 +538,7 @@
"shape"
:
[],
"superNames"
:
[
"section_run"
,
"x_tinker_section_
input_output_file
s"
"x_tinker_section_
control_parameter
s"
]
},
{
"description"
:
"tinker restart velocities file."
,
...
...
@@ -547,7 +547,7 @@
"shape"
:
[],
"superNames"
:
[
"section_run"
,
"x_tinker_section_
input_output_file
s"
"x_tinker_section_
control_parameter
s"
]
},
{
"description"
:
"tinker MD output log file."
,
...
...
@@ -556,7 +556,7 @@
"shape"
:
[],
"superNames"
:
[
"section_run"
,
"x_tinker_section_
input_output_file
s"
"x_tinker_section_
control_parameter
s"
]
},
{
"description"
:
"Parameters of mdin belonging to x_tinker_section_control_parameters."
,
...
...
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