mirror of
https://github.com/nwchemgit/nwchem.git
synced 2026-07-28 22:25:48 -04:00
fixed 'zend' in auto-z
This commit is contained in:
parent
ef4d466afd
commit
b4a69a6735
1 changed files with 5 additions and 3 deletions
|
|
@ -1,5 +1,5 @@
|
|||
subroutine geom_input(rtdb)
|
||||
C $Id: geom_input.F,v 1.48 1997-02-23 18:27:28 d3j191 Exp $
|
||||
C $Id: geom_input.F,v 1.49 1997-02-26 00:35:33 mdupuis Exp $
|
||||
implicit none
|
||||
#include "stdio.fh"
|
||||
#include "inp.fh"
|
||||
|
|
@ -6480,7 +6480,9 @@ C
|
|||
FRZVAR( IVAR)=.TRUE.
|
||||
GO TO 130
|
||||
ELSEIF(NUMWRD.EQ.1) THEN
|
||||
IF(PRSWRD(1)(2:NUMCHR(1)-1).NE.CHREND(1:4)) THEN
|
||||
IF((NUMCHR(1).EQ.6.AND.PRSWRD(1)(2:5).EQ.CHREND(1:4)).OR.
|
||||
1 (NUMCHR(1).EQ.5.AND.PRSWRD(1)(2:4).EQ.CHREND(2:4))) THEN
|
||||
ELSE
|
||||
WRITE(IW,8880)
|
||||
CALL HND_HNDERR(3,ERRMSG)
|
||||
ENDIF
|
||||
|
|
@ -6800,7 +6802,7 @@ C
|
|||
3 ' AS ATOMS. IF NOT, STOP .')
|
||||
8880 FORMAT(' THE END OF THE -$GEO- DATA GROUP IS INCORRECTLY',
|
||||
1 ' INDICATED. STOP',/,' IT SHOULD BE A BLANK CARD OR',
|
||||
2 ' A - $END - CARD.')
|
||||
2 ' A - ZEND - CARD.')
|
||||
8879 FORMAT(' THE ATOMIC SYMBOL FOR IAT = ',I3,' IS NOT LEGAL. STOP.',
|
||||
1 /,' THE ATOMIC SYMBOL IS EXTRACTED FROM THE FIRST TWO',
|
||||
2 ' CHARACTERS OF THE ATOM NAME.')
|
||||
|
|
|
|||
Loading…
Add table
Add a link
Reference in a new issue