[CP2K:4613] ALMO

Joe Greenstone green... at pobox.com
Tue Oct 22 05:45:52 CEST 2013


Hi,

Modifying regtest-almo/almo-d.inp by removing H2O from the end of included 
coordinate lines but no other changes causes the test to fail saying 'odd 
number of electrons'. Is there functional significance to this molecule 
name/description? If so, what molecule names are supported? 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20131021/79a8c498/attachment.html>


More information about the CP2K-user mailing list