@mat3ra/esse 2025.8.6-0 → 2025.8.6-1

package/dist/js/types.d.ts

@@ -46628,6 +46628,10 @@ export interface TemplateSchema {
      * Content of the input file. e.g. &CONTROL    calculation='scf' ...
      */
     content: string;
+    /**
+     * Rendered content of the input file. e.g. &CONTROL    calculation='scf' ...
+     */
+    rendered: string;
     /**
      * entity identity
      */
@@ -50285,6 +50289,10 @@ export interface ExecutionUnitSchemaForPhysicsBasedSimulationEnginesDefinedUsing
          * Content of the input file. e.g. &CONTROL    calculation='scf' ...
          */
         content: string;
+        /**
+         * Rendered content of the input file. e.g. &CONTROL    calculation='scf' ...
+         */
+        rendered: string;
     } | {
         templateId?: string;
         templateName?: string;
@@ -50823,6 +50831,10 @@ export interface ExecutionUnitSchemaForScriptingBasedApplications {
          * Content of the input file. e.g. &CONTROL    calculation='scf' ...
          */
         content: string;
+        /**
+         * Rendered content of the input file. e.g. &CONTROL    calculation='scf' ...
+         */
+        rendered: string;
     } | {
         templateId?: string;
         templateName?: string;
@@ -54576,6 +54588,10 @@ export interface ExecutionUnitInputSchemaForPhysicsBasedSimulationEngines {
          * Content of the input file. e.g. &CONTROL    calculation='scf' ...
          */
         content: string;
+        /**
+         * Rendered content of the input file. e.g. &CONTROL    calculation='scf' ...
+         */
+        rendered: string;
     } | {
         templateId?: string;
         templateName?: string;
@@ -54595,6 +54611,10 @@ export interface ExecutionUnitInputItemSchemaForPhysicsBasedSimulationEngines {
      * Content of the input file. e.g. &CONTROL    calculation='scf' ...
      */
     content: string;
+    /**
+     * Rendered content of the input file. e.g. &CONTROL    calculation='scf' ...
+     */
+    rendered: string;
 }
 /** Schema dist/js/schema/workflow/unit/input/_inputItemId.json */
 export interface ExecutionUnitInputIdItemSchemaForPhysicsBasedSimulationEngines {

package/example/software/template.json

@@ -4,6 +4,7 @@
         "6.0"
     ],
     "content": "K_POINTS automatic\n{{nkx}} {{nky}} {{nkz}} 0 0 0",
+    "rendered": "K_POINTS automatic\n10 10 10 0 0 0",
     "contextProviders": [
         {
             "name": "KGridManagerMixin"

package/example/software_directory/modeling/unit/execution.json

@@ -6,8 +6,7 @@
     "head": true,
     "input": [
         {
-            "content": "K_POINTS automatic\n2 2 2 0 0 0",
-            "name": "pw_scf.in"
+            "...": "include(../../../software/template.json)"
         }
     ],
     "name": "modeling",

package/example/software_directory/scripting/unit/execution.json

@@ -7,8 +7,7 @@
     "head": true,
     "input": [
         {
-            "content": "print('Hello World!')",
-            "name": "script.py"
+            "...": "include(../../../software/template.json)"
         }
     ],
     "name": "scripting",

package/package.json

@@ -1,6 +1,6 @@
 {
     "name": "@mat3ra/esse",
-    "version": "2025.8.6-0",
+    "version": "2025.8.6-1",
     "description": "Mat3ra's Excellent Source of Schemas and Examples (ESSE) for Digital Materials R&D",
     "scripts": {
         "transpile": "tsc -p tsconfig-transpile.json",

package/schema/workflow/unit/input/_inputItem.json

@@ -11,10 +11,15 @@
         "content": {
             "description": "Content of the input file. e.g. &CONTROL    calculation='scf' ...",
             "type": "string"
+        },
+        "rendered": {
+            "description": "Rendered content of the input file. e.g. &CONTROL    calculation='scf' ...",
+            "type": "string"
         }
     },
     "required": [
         "name",
-        "content"
+        "content",
+        "rendered"
     ]
 }