File tree 3 files changed +24
-80
lines changed
3 files changed +24
-80
lines changed Original file line number Diff line number Diff line change @@ -60,26 +60,7 @@ export class HubbardJContextProvider extends HubbardUContextProvider {
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atomicOrbital : {
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type : "string" ,
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title : "Orbital" ,
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- enum : [
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- "2p" ,
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- "3s" ,
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- "3p" ,
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- "3d" ,
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- "4s" ,
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- "4p" ,
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- "4d" ,
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- "4f" ,
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- "5s" ,
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- "5p" ,
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- "5d" ,
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- "5f" ,
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- "6s" ,
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- "6p" ,
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- "6d" ,
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- "7s" ,
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- "7p" ,
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- "7d" ,
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- ] ,
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+ enum : this . orbitalList ,
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default : defaultHubbardConfig . atomicOrbital ,
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} ,
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value : {
Original file line number Diff line number Diff line change @@ -16,6 +16,26 @@ export class HubbardUContextProvider extends mix(JSONSchemaFormDataProvider).wit
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constructor ( config ) {
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super ( config ) ;
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this . uniqueElements = this . material ?. Basis ?. uniqueElements || [ ] ;
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+ this . orbitalList = [
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+ "2p" ,
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+ "3s" ,
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+ "3p" ,
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+ "3d" ,
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+ "4s" ,
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+ "4p" ,
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+ "4d" ,
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+ "4f" ,
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+ "5s" ,
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+ "5p" ,
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+ "5d" ,
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+ "5f" ,
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+ "6s" ,
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+ "6p" ,
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+ "6d" ,
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+ "7s" ,
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+ "7p" ,
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+ "7d" ,
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+ ] ;
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}
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get defaultData ( ) {
@@ -63,26 +83,7 @@ export class HubbardUContextProvider extends mix(JSONSchemaFormDataProvider).wit
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atomicOrbital : {
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type : "string" ,
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title : "Atomic orbital" ,
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- enum : [
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- "2p" ,
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- "3s" ,
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- "3p" ,
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- "3d" ,
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- "4s" ,
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- "4p" ,
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- "4d" ,
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- "4f" ,
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- "5s" ,
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- "5p" ,
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- "5d" ,
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- "5f" ,
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- "6s" ,
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- "6p" ,
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- "6d" ,
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- "7s" ,
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- "7p" ,
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- "7d" ,
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- ] ,
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+ enum : this . orbitalList ,
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default : defaultHubbardConfig . atomicOrbital ,
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} ,
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hubbardUValue : {
Original file line number Diff line number Diff line change @@ -75,26 +75,7 @@ export class HubbardVContextProvider extends HubbardUContextProvider {
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atomicOrbital : {
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type : "string" ,
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title : "Orbital 1" ,
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- enum : [
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- "2p" ,
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- "3s" ,
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- "3p" ,
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- "3d" ,
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- "4s" ,
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- "4p" ,
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- "4d" ,
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- "4f" ,
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- "5s" ,
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- "5p" ,
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- "5d" ,
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- "5f" ,
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- "6s" ,
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- "6p" ,
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- "6d" ,
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- "7s" ,
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- "7p" ,
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- "7d" ,
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- ] ,
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+ enum : this . orbitalList ,
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default : defaultHubbardConfig . atomicOrbital ,
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} ,
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atomicSpecies2 : {
@@ -112,26 +93,7 @@ export class HubbardVContextProvider extends HubbardUContextProvider {
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atomicOrbital2 : {
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type : "string" ,
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title : "Orbital 2" ,
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- enum : [
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- "2p" ,
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- "3s" ,
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- "3p" ,
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- "3d" ,
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- "4s" ,
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- "4p" ,
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- "4d" ,
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- "4f" ,
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- "5s" ,
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- "5p" ,
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- "5d" ,
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- "5f" ,
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- "6s" ,
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- "6p" ,
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- "6d" ,
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- "7s" ,
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- "7p" ,
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- "7d" ,
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- ] ,
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+ enum : this . orbitalList ,
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default : defaultHubbardConfig . atomicOrbital ,
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} ,
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hubbardVValue : {
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