[molpro-user] Change in Cube File Formatter for Molpro2010?
MayAJ1 at cardiff.ac.uk
Thu Feb 17 21:58:05 GMT 2011
Hopefully this is now fixed with patch 2010.1.fixes11.
On 17/02/11 02:29, Seth Olsen wrote:
> Hi Molpro-Users?
> Has anyone noticed a change in the CUBE file output for orbitals generated in Molpro2010? I am finding that CUBE files for orbitals generated using 2010 cannot be viewed in my viewer of choice (VMD), while if I run exactly the same input file using Molpro2009 there is no problem at all. Application of a shell "diff" command seems to find numerous differences between the two CUBEs, but whatever they are they are not visible to humans...
> Any ideas?
> Many Thanks,
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