Commit 814519ec by Matthias Redies

### replace comparisons

parent 05d9a3b1
 ... @@ -81,7 +81,7 @@ ... @@ -81,7 +81,7 @@ !---> for electric field case (sigma.ne.0), add the extra charge !---> for electric field case (sigma.ne.0), add the extra charge !---> to the uppermost level; ignore the possible problem that !---> to the uppermost level; ignore the possible problem that !---> the occupations may not be between 0 and 2 !---> the occupations may not be between 0 and 2 IF (input%jspins.EQ.1) THEN IF (input%jspins==1) THEN occ(nst,1) = occ(nst,1) + qdel occ(nst,1) = occ(nst,1) + qdel ELSE ELSE occ(nst,1) = occ(nst,1) + qdel/2. occ(nst,1) = occ(nst,1) + qdel/2. ... @@ -198,7 +198,7 @@ ... @@ -198,7 +198,7 @@ DO i = 1,n DO i = 1,n dens(i) = rhoss(i,1) dens(i) = rhoss(i,1) ENDDO ENDDO IF (input%jspins.EQ.2) THEN IF (input%jspins==2) THEN DO i = 1,n DO i = 1,n dens(i) = dens(i) + rhoss(i,input%jspins) dens(i) = dens(i) + rhoss(i,input%jspins) ENDDO ENDDO ... @@ -241,7 +241,7 @@ ... @@ -241,7 +241,7 @@ dist = dist + sqrt((3.0e0/r3)*b(n)) dist = dist + sqrt((3.0e0/r3)*b(n)) ENDDO ENDDO IF (lastit) GO TO 190 IF (lastit) GO TO 190 IF (dist.LT.distol) lastit = .true. IF (dist
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