Module: volumes
| Description | Usage |
|---|---|
| Information about the module | |
| Authors: Gareth Tribello |   |
Details
Actions
The following actions are part of this module
| Name | Description |
|---|---|
| AROUND | This quantity can be used to calculate functions of the distribution of collective variables for the atoms that lie in a particular, user-specified part of of the cell. |
| CAVITY | This quantity can be used to calculate functions of the distribution of collective variables for the atoms that lie in a box defined by the positions of four atoms. |
| DENSITY | Depreciated command that is bascially equivalant to GROUP. |
| INCYLINDER | This quantity can be used to calculate functions of the distribution of collective variables for the atoms that lie in a particular, user-specified part of of the cell. |
| INENVELOPE | This quantity can be used to calculate functions of the distribution of collective variables for the atoms that lie in a region where the density of a certain type of atom is high. |
| INSPHERE | This quantity can be used to calculate functions of the distribution of collective variables for the atoms that lie in a particular, user-specified part of of the cell. |
| TETRAHEDRALPORE | This quantity can be used to calculate functions of the distribution of collective variables for the atoms lie that lie in a box defined by the positions of four atoms at the corners of a tetrahedron. |