[molpro-user] Fwd: MATROP and WRITE precision

Maksim A. Boyko maksim.a.boyko at gmail.com
Fri May 13 09:34:05 CEST 2016


I try to write one-electron matrices to text files in MOLPRO 2010.1
via MATROP WRITE to process in own program.
I found that files do not contain double precision data. So I can not
use it for my calculation due to low precision.
Is any way to write double precision text files? Can I use binary
(file 1 and file 2) files to extract one-electron matrices?
Where one can find format of the binary files?

Best regards, Maksim A. Boyko

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