NWChem

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History

Huub Van Dam 7d290b98cb HvD: The first tranche of updates in relation to the NWChem-6.0 release. All input files now have the "echo" directive. Also where necessary the baselines have been updated upto and including br2_dk.out. There is more to follow...		2010-10-26 21:27:33 +00:00
..
oh2.nw	added echo to all qa input decks	1999-07-15 01:02:51 +00:00
oh2.out	HvD: The first tranche of updates in relation to the NWChem-6.0 release.	2010-10-26 21:27:33 +00:00
README	a test designed to fail	1997-07-02 22:04:43 +00:00

README

This is the same as the ho2 test case but it is designed to fail
since the good output has -67.  instead of -76. This allows checking
of the scripts as well.

RAK