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nomad-lab
nomad-meta-info
Commits
f44ad3ae
Commit
f44ad3ae
authored
Dec 08, 2017
by
Berk Onat
Browse files
Fixed shape and type definitions in GROMACS meta data.
parent
647f6185
Changes
1
Pipelines
1
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meta_info/nomad_meta_info/gromacs.nomadmetainfo.json
View file @
f44ad3ae
...
...
@@ -1384,8 +1384,10 @@
},
{
"description"
:
"Gromacs running environment and control parameters."
,
"name"
:
"x_gromacs_inout_control_compressibility0"
,
"dtypeStr"
:
"C"
,
"shape"
:
[],
"dtypeStr"
:
"f"
,
"shape"
:
[
3
],
"superNames"
:
[
"section_run"
,
"x_gromacs_section_control_parameters"
...
...
@@ -1393,8 +1395,10 @@
},
{
"description"
:
"Gromacs running environment and control parameters."
,
"name"
:
"x_gromacs_inout_control_compressibility1"
,
"dtypeStr"
:
"C"
,
"shape"
:
[],
"dtypeStr"
:
"f"
,
"shape"
:
[
3
],
"superNames"
:
[
"section_run"
,
"x_gromacs_section_control_parameters"
...
...
@@ -1402,8 +1406,10 @@
},
{
"description"
:
"Gromacs running environment and control parameters."
,
"name"
:
"x_gromacs_inout_control_compressibility2"
,
"dtypeStr"
:
"C"
,
"shape"
:
[],
"dtypeStr"
:
"f"
,
"shape"
:
[
3
],
"superNames"
:
[
"section_run"
,
"x_gromacs_section_control_parameters"
...
...
@@ -1411,8 +1417,10 @@
},
{
"description"
:
"Gromacs running environment and control parameters."
,
"name"
:
"x_gromacs_inout_control_refp0"
,
"dtypeStr"
:
"C"
,
"shape"
:
[],
"dtypeStr"
:
"f"
,
"shape"
:
[
3
],
"superNames"
:
[
"section_run"
,
"x_gromacs_section_control_parameters"
...
...
@@ -1420,8 +1428,10 @@
},
{
"description"
:
"Gromacs running environment and control parameters."
,
"name"
:
"x_gromacs_inout_control_refp1"
,
"dtypeStr"
:
"C"
,
"shape"
:
[],
"dtypeStr"
:
"f"
,
"shape"
:
[
3
],
"superNames"
:
[
"section_run"
,
"x_gromacs_section_control_parameters"
...
...
@@ -1429,8 +1439,10 @@
},
{
"description"
:
"Gromacs running environment and control parameters."
,
"name"
:
"x_gromacs_inout_control_refp2"
,
"dtypeStr"
:
"C"
,
"shape"
:
[],
"dtypeStr"
:
"f"
,
"shape"
:
[
3
],
"superNames"
:
[
"section_run"
,
"x_gromacs_section_control_parameters"
...
...
@@ -1807,8 +1819,10 @@
},
{
"description"
:
"Gromacs running environment and control parameters."
,
"name"
:
"x_gromacs_inout_control_deform0"
,
"dtypeStr"
:
"C"
,
"shape"
:
[],
"dtypeStr"
:
"f"
,
"shape"
:
[
3
],
"superNames"
:
[
"section_run"
,
"x_gromacs_section_control_parameters"
...
...
@@ -1816,8 +1830,10 @@
},
{
"description"
:
"Gromacs running environment and control parameters."
,
"name"
:
"x_gromacs_inout_control_deform1"
,
"dtypeStr"
:
"C"
,
"shape"
:
[],
"dtypeStr"
:
"f"
,
"shape"
:
[
3
],
"superNames"
:
[
"section_run"
,
"x_gromacs_section_control_parameters"
...
...
@@ -1825,8 +1841,10 @@
},
{
"description"
:
"Gromacs running environment and control parameters."
,
"name"
:
"x_gromacs_inout_control_deform2"
,
"dtypeStr"
:
"C"
,
"shape"
:
[],
"dtypeStr"
:
"f"
,
"shape"
:
[
3
],
"superNames"
:
[
"section_run"
,
"x_gromacs_section_control_parameters"
...
...
@@ -2032,8 +2050,10 @@
},
{
"description"
:
"Gromacs running environment and control parameters."
,
"name"
:
"x_gromacs_inout_control_acc"
,
"dtypeStr"
:
"C"
,
"shape"
:
[],
"dtypeStr"
:
"f"
,
"shape"
:
[
3
],
"superNames"
:
[
"section_run"
,
"x_gromacs_section_control_parameters"
...
...
@@ -2042,7 +2062,9 @@
"description"
:
"Gromacs running environment and control parameters."
,
"name"
:
"x_gromacs_inout_control_nfreeze"
,
"dtypeStr"
:
"C"
,
"shape"
:
[],
"shape"
:
[
3
],
"superNames"
:
[
"section_run"
,
"x_gromacs_section_control_parameters"
...
...
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