[molpro-user] Change in Cube File Formatter for Molpro2010?
s.olsen1 at uq.edu.au
Thu Feb 17 02:29:36 GMT 2011
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...
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