SUBROUTINE SRTCLUST(ICUT,NCON) include 'DIMENSIONS' include 'sizesclu.dat' include 'COMMON.CLUSTER' include 'COMMON.IOUNITS' C C SORT CONFORMATIONS IN GROUPS ACC. TO ENERGY C DO 16 IGR=1,NGR LIGR=LICZ(IGR) DO 17 ICO=1,LIGR-1 IND1=NCONF(IGR,ICO) ENE=totfree(IND1) DO 18 JCO=ICO+1,LIGR IND2=NCONF(IGR,JCO) EN1=totfree(IND2) IF (EN1.LT.ENE) THEN NCONF(IGR,ICO)=IND2 NCONF(IGR,JCO)=IND1 IND1=IND2 ENE=EN1 ENDIF 18 CONTINUE 17 CONTINUE 16 CONTINUE C C SORT GROUPS C DO 71 IGR=1,NGR ENE=totfree(NCONF(IGR,1)) DO 72 JGR=IGR+1,NGR EN1=totfree(NCONF(JGR,1)) IF (EN1.LT.ENE) THEN LI1=LICZ(IGR) LI2=LICZ(JGR) LI=MAX0(LI1,LI2) DO 73 I=1,LI NCO=NCONF(IGR,I) NCONF(IGR,I)=NCONF(JGR,I) NCONF(JGR,I)=NCO 73 CONTINUE ENE=EN1 LICZ(IGR)=LI2 LICZ(JGR)=LI1 ENDIF 72 CONTINUE 71 CONTINUE DO 81 IGR=1,NGR LI=LICZ(IGR) DO 82 I=1,LI 82 IASS(NCONF(IGR,I))=IGR 81 CONTINUE if (lgrp) then do i=1,ncon iass_tot(i,icut)=iass(i) c write (iout,*) icut,i,iass(i),iass_tot(i,icut) enddo endif RETURN END