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qsimulate-open / bagel

Brilliantly Advanced General Electronic-structure Library
GNU General Public License v3.0
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Dyson method not working #254

Closed tnorthey closed 1 year ago

tnorthey commented 1 year ago

Hello,

I installed bagel successfully and all tests pass except 1 in the TestSuite program. However, I am trying to run a Dyson orbital calculation as described on the website https://nubakery.org/miscellaneous/dyson.html

That input file gives the error:

ERROR: EXCEPTION RAISED: DYSON : unknown method

I am unclear how to resolve this, so I hope posting this issue can give clarity. Thank you, Thomas

shiozaki commented 1 year ago

This manual is associated with the latest master branch. The dyson module was added after the latest release; please git clone the repository and compile it, instead of using the zip file of the prior releases.