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$POINTS group (not required)
This group is used to input points at which properties
will be computed. This first card in the group must
contain the string ANGS or BOHR, followed by an integer
NPOINT, the number of points to be used. The next NPOINT
cards are read in free format, containing the X, Y, and Z
coordinates of each desired point.
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$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