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$GRID group (not required)
This group is used to input a grid (plane or cube) on
which properties will be calculated. This group should be
given if WHERE=GRID in $ELPOT or $ELDENS. This output will
be in the PUNCH file whenever OUTPUT=PUNCH or BOTH.
MODGRD = 0 orthonormalize the grid vectors
= 1 normalize the grid vectors
ORIGIN(i) = coordinates of one corner of the grid/cube.
XVEC(i) = vector from ORIGIN to an adjacent corner "X" of
the grid (or cube). The XVEC direction need
not be parallel to the X-axis of the molecule.
YVEC(i) = vector to the adjacent corner "Y" of grid/cube.
ZVEC(i) = vector to the adjacent corner "Z" of the cube,
given if and only if MODGRD=1.
SIZE = grid increment in all directions (default 0.25)
UNITS = units of the above five values, it can be
either ANGS (the default) or BOHR.
GRDPAD = grid padding, like GRDPAD in $FMOPRP, but
applied to non-FMO runs. Default: 0, which
means padding is not used so one must specify
ORIGIN.
Two dimensional grids may be drawn with the graphics
program MEPMAP provided with GAMESS. Several programs will
accept the 3-dimensional CUBE format.
Note that MacMolPlt draws 2D and 3D density maps without
any need to pre-compute them inside GAMESS by this group.
User *must* input orthogonal XVEC/YVEC/ZVEC directions!
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generated on 7/7/2017