Subject: AIMPAC problem with >1000 primitives

From: Pablo Vitoria Garcia <[email-masked]>
Date: Mon, 9 Nov 1998 17:54:06 +0100 (MET)

Hi,

Regarding the problem I found with AIMPAC opening a .wfn file of a big
calculation (more than 1000 primitives), and whose origin I wrongly
thought was the f functions, this may be of interest to other people. 

Some AIMPAC programs (EXT94b and cubev, at least) cannot read .wfn files
if the calculation was done with more than a thousand primitives, bacause
FORMAT line 102 tries to read a I3 integer (<999). It should be changed
to:
102   FORMAT (4X,A4,11X,3(I4,16X))
and the problem disappears.

Pablo

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Pablo Vitoria Garcia 
Departamento de Quimica Inorganica, Facultad de Ciencias
Universidad del Pais Vasco (UPV/EHU)
Apartado 644, E-48080 Bilbao
SPAIN
e-mail: [email-masked]
Phone: +34 4 4647700 Ext. 2450
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