6 commits

Author	SHA1	Message	Date
Kurt Glaesmann	4d004584c2	Update to newer nwchem version of output	2010-11-02 17:16:22 +00:00
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
Peng-dong Fan	946125ef48	gaussian cube file for excited state density	2009-06-16 00:41:24 +00:00
Peng-dong Fan	3b8f49b471	output file of excited state density plot	2009-06-16 00:40:55 +00:00
Peng-dong Fan	c2c1fc61a3	input file for excited state density plot using density matrix generated by eom-ccsd	2009-06-16 00:40:16 +00:00
Peng-dong Fan	fcfdebb6d5	QA test for tce_dplot	2009-06-16 00:23:03 +00:00