From: Rzepa, H. <h....@im...> - 2004-12-17 07:33:24
|
>Hello again, > We used pmesh files to describe symmetry elements of simple molecules. >Files were in general very small - 6 kb for a 100 points mesh, 2kb for a 26 >points mesh. For a wavefunction the resolution should probably be higher, >and then the file will be heavier, but I didn't try this. > Wavefunctions, if complex, can sometimes have 20,000 points, and compression is presumably less effective because unlike a plane, there is no repetition. -- Henry Rzepa. +44 (020) 7594 5774 (Voice); +44 (0870) 132 3747 (eFax); rz...@ma... (iChat) http://www.ch.ic.ac.uk/rzepa/ Dept. Chemistry, Imperial College London, SW7 2AZ, UK. (Voracious anti-spam filter in operation for received email. If expected reply not received, please phone/fax). |