- Timestamp:
- 11/19/09 11:29:48 (14 years ago)
- Branches:
- master
- Children:
- 7137e5d
- Parents:
- 32289cd
- File:
-
- 1 edited
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opeshe.f
r32289cd r38d77eb 51 51 ntlvr=nvrml(nml) 52 52 if (ntlvr.eq.0) then 53 write ( *,'(a,i4)')53 write (logString, '(a,i4)') 54 54 & ' opeshe> No variables defined in molecule #',nml 55 55 return … … 377 377 gda=gdeyvr(iv) ! analytical der. 378 378 379 write ( *,'(1x,2a,2(e12.6,a))') nmvr(iv),': ',gda,' (',379 write (logString, '(1x,2a,2(e12.6,a))') nmvr(iv),': ',gda,' (', 380 380 & abs(gda-gdn),')' 381 381
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