Subject: Error in MOPAC7

From: Jeffrey J Gosper <[email-masked]>
Date: Wed, 17 Jan 1996 13:12:34 GMT

Dear colleagues,

we have been setting up MOPAC7 on our Sun UNIX system and discovered a bug in 
the code which performs DRC/IRC calculations. The offending line is in the 
force.f subroutine. The line originally was
IF(INDEX(KEYWRD,'IRC')+INDEX(KEYWRD,'DRC').eq.677)THEN
which prevents activation of the drc subroutine. This should be replaced by
IF(INDEX(KEYWRD,'IRC')+INDEX(KEYWRD,'DRC').ne.0)THEN
as it appears in MOPAC6.

Does the same bug appear in MOPAC93?

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 Dr. Jeff Gosper                                         
 Dept. of Chemistry		                        
 BRUNEL University                                     
 Uxbridge Middx UB8 3PH, UK                            
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