Mesh Continuation Parameters
This section sets
parameters for performing mesh continuation runs. This type
of continuation is not allowed by the LOCA libraries because the
mesh cannot be changed continuously. This type of continuation is useful when computing
properties (e.g. potential of mean force) as a function of surface separation.
- N_runs(int): The number of mesh continuation steps to be performed.
Set to 1 to turn off mesh continuation. Mesh continuation is disabled when LOCA continuation is enabled except
in the case of binodal calculations where it is permitted to wrap mesh continuation around a LOCA solve.
- Del_1(real vector): This vector stores the amount the mesh
size will be varied for each run (positive to increase system size, negative to decrease system size). While all the mesh dimensions
(x, y, and z) may be changed simultaneously, typically only one dimension is varied at a time.
- Plane_new_nodes(int): Mesh continuation involves changing the mesh size by
insertion or deletion of plane(s) of nodes.
The orientation of the new plane(s) of nodes must be
indicated. The options are: yz-plane (0), xz-plane (1), and xy-plane (2).
- Pos_new_nodes(int): This parameter controls where new nodes are added (or where nodes are deleted) from the domain.
Options allow of the addition or deletion of
plane(s) of nodes from one
of three positions: left-bottom-back side (-1), center of box (0),
or right-top-front side (1).