Authentication realm: <https://svn.pnl.gov:443> nwchem
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r21871 | d3y133 | 2012-01-25 23:39:15 -0800 (Wed, 25 Jan 2012) | 10 lines

HvD: This test case tests running a DFT calculation with cgmin and following
that up with a Hessian calculation. At the moment this calculation fails
miserably in the cphf_solve2. The reason for the failure is that in 
rohf_energy a Fock matrix is supposed to be generated but instead of a 2D
GA a 3D GA is passed into the Fock builder.
Somehow this problem seems to be related to the logic involving lcgmin on
line 273 of nwchem/src/ddscf/fock_xc.F. However, it is not clear to me what
that logic is trying to achieve so I am not sure what to do about it.
Any hints are welcome.

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