17.3.7 Grid printing (GRIDPRINT)


controls printing of the grid, which by default is not done. At present, the only possible value for key is GRID, and value should be specified as an integer. GRID=0 causes the total number of integration points to be evaluated and reported; GRID=1 additionally shows the number of points on each atom; GRID=2 causes the complete set of grid points and weights to be printed.

molpro@molpro.net 2019-03-25