| import java_cup.runtime.*; |
| import javax.swing.*; |
| import java.util.*; |
| import java.io.*; |
| |
| |
| |
| /* |
| OUTPUT FORMAT:____________________________________________________________ |
| 1NSERCH= 0 |
| more text |
| NSERCH= 0 ENERGY= -76.5352218 |
| more text |
| MAXIMUM GRADIENT = 0.2313886 RMS GRADIENT = 0.0944646 |
| more text |
| TO MONITOR:____________________________________________________________ |
| iteration, energy |
| |
| MANUALLY ADD TO CUP-GENERATED CLASS IN SCFaParser.java:________________ |
| |
| |
| //add to CUP$SCFaParser$actions |
| public ParseSCF2 parseSCF; |
| |
| //add to the constructor of CUP$SCFaParser$actions |
| parseSCF = new ParseSCF2(); |
| |
| */ |
| |
| action code {: |
| //__________________________________ |
| public static boolean DEBUG = true; |
| |
| :} |
| |
| |
| |
| |
| terminal FOUNDITER, SCFDONE; |
| terminal RUNTYP, RUNTYP1; |
| non terminal startpt, scfintro, scfpat, scfcycle, en, grad1, grad2, en1; |
| non terminal String rtyp, rtyp1; |
| |
| |
| |
| /* ___________ |
| The grammer */ |
| |
| startpt ::= scfintro |
| {: if (DEBUG) System.out.println("CUP:GNUMatom: end of parse tree "); |
| |
| :} |
| ; |
| |
| |
| |
| |
| scfintro ::= |
| FOUNDITER RUNTYP |
| {: if (DEBUG) System.out.println("CUP:GNUMatom: found FOUNDITER "); :} |
| |
| ; |