C C PURPOSE: COPIES SOLUTION OF S.E. EQUATIONS INTO THE DENSITY-MATRIX VECTOR C C INPUTS: C NDIM C SOL C OUTPUTS: C RHO (SET IN COMMON CSE) C COMMON: C CATOM CSE CLU C COMMENTS: OCTOBER 6, 1999, P. JUDGE C SUBROUTINE SE0_COPY(NDIM,SOL) INCLUDE 'PREC' INCLUDE 'PARAM' INCLUDE 'CATOM' INCLUDE 'CSE' INCLUDE 'CINTS' INCLUDE 'CINPUT' INCLUDE 'CLU' C DIMENSION RHONORM(0:MJTOT,0:MJTOT) DIMENSION SOL(NDIM) C I=0 TRACE=ZERO C debug statement updated 6jul22 IF(IDEBUG.EQ.1) THEN WRITE(LOUT,*)'NORMALIZED DENSITY MATRIX VECTOR, RHO(J,K)' WRITE(LOUT,21) 'K=',(K,K=0,INT(2*AJ(NK)),2) ENDIF DO IJ=1,NK I2J=NINT(TWO*AJ(IJ)) C Note stepping by 2 added with 6jul22 version DO K=0,I2J,2 I=I+1 IF (K.EQ.0) WGT=WEIGHT(I) RHO(IJ,K)=SOL(I) RHONORM(IJ,K)=WGT*SOL(I) END DO TRACE=RHONORM(IJ,0)+TRACE C outputting by 2 added 6jul22 IF(IDEBUG.EQ.1) WRITE (LOUT,20)'J=',IJ,(RHONORM(IJ,K),K=0,I2J,2) END DO IF(IDEBUG.EQ.1) THEN WRITE(LOUT,30) ' TRACE =',TRACE WRITE(LOUT,10) ' ALIGNMENT FACTOR, RHO(J,2)/RHO(J,0)' DO IJ=1,NK WRITE (LOUT,40) ' J =',IJ,RHO(IJ,2)/RHO(IJ,0) END DO ENDIF 10 FORMAT(/A/) 20 FORMAT(2X,1P,A,I3,1X,12(1X,E10.3)) C next format statement added 6jul22 21 FORMAT(1X,A,12(1X,I10)) 30 FORMAT(/2X,1P,A,E10.3) 40 FORMAT(2X,1P,A,I3,2X,E10.3) RETURN END