model.h File Reference
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Go to the source code of this file.
Classes | |
| union | State |
| class | Molecule |
Namespaces | |
| namespace | Potential |
| Interaction-potential functions, such as LJ. | |
| namespace | Geom |
| Provides some trigeometry functions. | |
Defines | |
| #define | HARDBALLS |
| hardball collision as opposed to interaction via a potential | |
Enumerations | |
| enum | AtomType { undefined = 0, hydrogen = 1, helium = 2, carbon = 12, oxygen = 16, maxAtomTypes } |
Functions | |
| void | Potential::strength (REAL strength) |
| REAL | Potential::strength () |
| void | Potential::lengthscale (REAL lengthscale) |
| REAL | Potential::lengthscale () |
| void | Potential::Cutoff (REAL newcutoff) |
| REAL | Potential::Cutoff () |
| REAL | Potential::value (REAL r) |
| REAL | Potential::force (REAL r) |
| REAL | Potential::derivative (REAL r) |
| void | Geom::distvec (REAL a[], REAL b[], REAL c[]) |
| REAL | Geom::distance (REAL a[], REAL b[]) |
| REAL | Geom::distance (int dim, REAL a[], REAL b[]) |
| REAL | Geom::sclp (REAL a[], REAL b[]) |
| REAL | Geom::length (REAL a[]) |
| REAL | Geom::area (REAL a[], REAL b[]) |
| REAL | Geom::normalize (REAL a[]) |
| int | Geom::hash (int i, int j, int n) |
Variables | |
| const REAL | Potential::small = 1.0e-20 |
| const REAL | Potential::large = 1.0e20 |
Define Documentation
| #define HARDBALLS |
Enumeration Type Documentation
| enum AtomType |
