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38.8 GOPENMOL -- calculate grids for visualization in gOpenMol

GOPENMOL,filename,iflag,$n_1$,$n_2$,$n_3$

The syntax and sub-options are exactly the same as for CUBE, except that the files produced are in a format that can be used directly in the gOpenMol visualization program. The following should be noted.



Next: 39 RELATIVISTIC CORRECTIONS Up: 38 PROPERTIES AND EXPECTATION Previous: 38.7.9 Format of cube   Contents   Index   PDF

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molpro@molpro.net 2018-08-14