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Expand file tree Collapse file tree Original file line number Diff line number Diff line change @@ -118,6 +118,7 @@ export interface Model {
118118 isLoaded(): boolean;
119119 predictEnergy(system: AtomicSystem): number;
120120 predict(system: AtomicSystem): PredictionResult;
121+ predictWithOptions(system: AtomicSystem, useNcForces: boolean): PredictionResult;
121122}
122123
123124export interface ModelStatic {
Original file line number Diff line number Diff line change @@ -500,7 +500,7 @@ export default function MolecularDynamics() {
500500
501501 // Remove existing unit cell
502502 if ( unitCellRef . current ) {
503- stageRef . current . removeComponent ( unitCellRef . current )
503+ ( stageRef . current as any ) . removeComponent ( unitCellRef . current )
504504 unitCellRef . current = null
505505 }
506506
@@ -544,7 +544,7 @@ export default function MolecularDynamics() {
544544 } )
545545
546546 // Add the shape to the stage
547- const shapeComp = stageRef . current . addComponentFromObject ( shape )
547+ const shapeComp = ( stageRef . current as any ) . addComponentFromObject ( shape )
548548 shapeComp . addRepresentation ( 'buffer' , {
549549 linewidth : 4 ,
550550 opacity : 0.9
@@ -664,14 +664,6 @@ export default function MolecularDynamics() {
664664 workerRef . current ?. postMessage ( { type : 'stop' } )
665665 }
666666
667- const stepMD = ( ) => {
668- workerRef . current ?. postMessage ( { type : 'step' } )
669- }
670-
671- const resetView = ( ) => {
672- stageRef . current ?. autoView ( 500 )
673- }
674-
675667 return (
676668 < div className = "md-simulation" >
677669 { /* Left panel - Structure and parameters */ }
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