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17.3.7 Grid printing (GRIDPRINT)

GRIDPRINT,key=value,$\dots$

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 2017-12-16