better formatting of *.rge output

- increase both the width & decimals when formatting the bin centres - this fixes a "rounding" bug in the formatting of bin centres when small depth increments (e.g., <= 1 angstrom) were used.
2022-12-31 17:05:13 -04:00
parent e65a0993ec
commit f3302ad5be
1 changed files with 1 additions and 1 deletions
@@ -2737,7 +2737,7 @@ C     size!
         Dmid=(D2-D1)/2+D1
         WRITE(22,701) Dmid,IRP(I)
 700     FORMAT(1X,F6.0,1H-,F6.0,I10,E12.4,I10,1P1E14.4,5E12.4,I8)
- 701     FORMAT(1X,F6.0,2x,I10)
+ 701     FORMAT(1X, F16.4, 2X, I10)
         D1=D2
 11   D2=D2+CW
      WRITE(21,604) D2-CW,IRP(MAXD1),RIRP(MAXD1)