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SOF-8005: add RESTART to the NWChem total-energy context provider #413

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SOF-8005: add RESTART to the NWChem total-energy context provider #413

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SOF-8005: add RESTART to the NWChem total-energy context provider
VsevolodX Aug 13, 2026
8334016
Merge remote-tracking branch 'origin/dev' into feature/SOF-8005
VsevolodX Aug 14, 2026
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4 changes: 4 additions & 0 deletions ...hema/context_providers_directory/by_application/nwchem_total_energy_context_provider.json
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Expand Up @@ -62,6 +62,10 @@
"CARTESIAN": {
"type": "boolean",
"description": "Whether atomic positions are expressed in cartesian coordinates."
},
"RESTART": {
"type": "boolean",
"description": "Whether to continue from the RTDB of a previous run in the same working directory, taking its geometry, instead of declaring one. Optional: absent means no restart."
}
}
}
4 changes: 4 additions & 0 deletions dist/js/schema/job.json
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Expand Up @@ -1823,6 +1823,10 @@
"CARTESIAN": {
"type": "boolean",
"description": "Whether atomic positions are expressed in cartesian coordinates."
},
"RESTART": {
"type": "boolean",
"description": "Whether to continue from the RTDB of a previous run in the same working directory, taking its geometry, instead of declaring one. Optional: absent means no restart."
}
},
"required": [
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4 changes: 4 additions & 0 deletions dist/js/schema/properties_directory/non_scalar/workflow.json
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Expand Up @@ -1814,6 +1814,10 @@
"CARTESIAN": {
"type": "boolean",
"description": "Whether atomic positions are expressed in cartesian coordinates."
},
"RESTART": {
"type": "boolean",
"description": "Whether to continue from the RTDB of a previous run in the same working directory, taking its geometry, instead of declaring one. Optional: absent means no restart."
}
},
"required": [
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4 changes: 4 additions & 0 deletions dist/js/schema/property/holder.json
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Expand Up @@ -4292,6 +4292,10 @@
"CARTESIAN": {
"type": "boolean",
"description": "Whether atomic positions are expressed in cartesian coordinates."
},
"RESTART": {
"type": "boolean",
"description": "Whether to continue from the RTDB of a previous run in the same working directory, taking its geometry, instead of declaring one. Optional: absent means no restart."
}
},
"required": [
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4 changes: 4 additions & 0 deletions dist/js/schema/software_directory/modeling/unit/execution.json
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Expand Up @@ -748,6 +748,10 @@
"CARTESIAN": {
"type": "boolean",
"description": "Whether atomic positions are expressed in cartesian coordinates."
},
"RESTART": {
"type": "boolean",
"description": "Whether to continue from the RTDB of a previous run in the same working directory, taking its geometry, instead of declaring one. Optional: absent means no restart."
}
},
"required": [
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4 changes: 4 additions & 0 deletions dist/js/schema/software_directory/scripting/unit/execution.json
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Expand Up @@ -748,6 +748,10 @@
"CARTESIAN": {
"type": "boolean",
"description": "Whether atomic positions are expressed in cartesian coordinates."
},
"RESTART": {
"type": "boolean",
"description": "Whether to continue from the RTDB of a previous run in the same working directory, taking its geometry, instead of declaring one. Optional: absent means no restart."
}
},
"required": [
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4 changes: 4 additions & 0 deletions dist/js/schema/workflow.json
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Expand Up @@ -1811,6 +1811,10 @@
"CARTESIAN": {
"type": "boolean",
"description": "Whether atomic positions are expressed in cartesian coordinates."
},
"RESTART": {
"type": "boolean",
"description": "Whether to continue from the RTDB of a previous run in the same working directory, taking its geometry, instead of declaring one. Optional: absent means no restart."
}
},
"required": [
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4 changes: 4 additions & 0 deletions dist/js/schema/workflow/base.json
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Expand Up @@ -1608,6 +1608,10 @@
"CARTESIAN": {
"type": "boolean",
"description": "Whether atomic positions are expressed in cartesian coordinates."
},
"RESTART": {
"type": "boolean",
"description": "Whether to continue from the RTDB of a previous run in the same working directory, taking its geometry, instead of declaring one. Optional: absent means no restart."
}
},
"required": [
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4 changes: 4 additions & 0 deletions dist/js/schema/workflow/subworkflow.json
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Expand Up @@ -1579,6 +1579,10 @@
"CARTESIAN": {
"type": "boolean",
"description": "Whether atomic positions are expressed in cartesian coordinates."
},
"RESTART": {
"type": "boolean",
"description": "Whether to continue from the RTDB of a previous run in the same working directory, taking its geometry, instead of declaring one. Optional: absent means no restart."
}
},
"required": [
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4 changes: 4 additions & 0 deletions dist/js/schema/workflow/subworkflow/mixin.json
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Expand Up @@ -1558,6 +1558,10 @@
"CARTESIAN": {
"type": "boolean",
"description": "Whether atomic positions are expressed in cartesian coordinates."
},
"RESTART": {
"type": "boolean",
"description": "Whether to continue from the RTDB of a previous run in the same working directory, taking its geometry, instead of declaring one. Optional: absent means no restart."
}
},
"required": [
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4 changes: 4 additions & 0 deletions dist/js/schema/workflow/subworkflow/unit.json
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Expand Up @@ -1365,6 +1365,10 @@
"CARTESIAN": {
"type": "boolean",
"description": "Whether atomic positions are expressed in cartesian coordinates."
},
"RESTART": {
"type": "boolean",
"description": "Whether to continue from the RTDB of a previous run in the same working directory, taking its geometry, instead of declaring one. Optional: absent means no restart."
}
},
"required": [
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4 changes: 4 additions & 0 deletions dist/js/schema/workflow/unit/context/item.json
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Expand Up @@ -71,6 +71,10 @@
"CARTESIAN": {
"type": "boolean",
"description": "Whether atomic positions are expressed in cartesian coordinates."
},
"RESTART": {
"type": "boolean",
"description": "Whether to continue from the RTDB of a previous run in the same working directory, taking its geometry, instead of declaring one. Optional: absent means no restart."
}
},
"required": [
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4 changes: 4 additions & 0 deletions dist/js/schema/workflow/unit/context/item/input.json
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Expand Up @@ -67,6 +67,10 @@
"CARTESIAN": {
"type": "boolean",
"description": "Whether atomic positions are expressed in cartesian coordinates."
},
"RESTART": {
"type": "boolean",
"description": "Whether to continue from the RTDB of a previous run in the same working directory, taking its geometry, instead of declaring one. Optional: absent means no restart."
}
},
"required": [
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4 changes: 4 additions & 0 deletions dist/js/schema/workflow/unit/execution.json
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Expand Up @@ -642,6 +642,10 @@
"CARTESIAN": {
"type": "boolean",
"description": "Whether atomic positions are expressed in cartesian coordinates."
},
"RESTART": {
"type": "boolean",
"description": "Whether to continue from the RTDB of a previous run in the same working directory, taking its geometry, instead of declaring one. Optional: absent means no restart."
}
},
"required": [
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4 changes: 4 additions & 0 deletions dist/js/schema/workflow/unit/mixins/execution.json
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Expand Up @@ -473,6 +473,10 @@
"CARTESIAN": {
"type": "boolean",
"description": "Whether atomic positions are expressed in cartesian coordinates."
},
"RESTART": {
"type": "boolean",
"description": "Whether to continue from the RTDB of a previous run in the same working directory, taking its geometry, instead of declaring one. Optional: absent means no restart."
}
},
"required": [
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2 changes: 1 addition & 1 deletion dist/js/schemas.json
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