Well,
I was wrong.
I just tested all the gaussian files in the samples directory and they all read except for
phenol-without-para-H.g98.out. This one only has a 'Standard orientation' but not an Input or Z-Matrix before that, so I have to come up with a different solution to try to find out how many orientations are read for one particular calculation, but I won't be able to do that today.
Maybe this is because g98 did things a bit differently than 03, and I only have 03 to test the input combinations that give rise to the differences in the output...
I have a sinking feeling that we/I really need to go towards a more 'context sensitive' way of interpreting the file, as opposed to doing it all within a single context.
Sorry, Sigh...
Ren�
On Oct 22, 2004, at 9:13 AM, Miguel wrote:
OK.
You have another small task too ...
H2O_NoSymm.out is not reading properly. It was broken in the code before I
checked in last nite.
There is another file that is not currently working properly ... 4-cyanophenylnitrene-Benzazirine-TS.g94.out
That one *was* working properly before I checked in ... so I must have broken something ... I will investigate this one later.
Miguel
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