List of ExamplesΒΆ
The following page gives a list of the examples that are distributed across the documentation:
| Description | Link |
|---|---|
| Quick-Start: Tabulating Basak Potentials for DL_POLY | |
| Quick-Start: Tabulating Basak Potentials for LAMMPS | |
| [Potential-Form] Using custom-potential forms to define Basak potential | potable |
| Splining ZBL Potential on to Buckingham Potential | |
| Defining the Morelon model using the Buck4 spline | potable |
| Parametrising a model using published spline coefficients | potable |
| Truncating a potential (describing LAMMPS pair_style soft ) | potable |
| Truncating a potential using if() (describing LAMMPS pair_style soft ) | potable |
| [Table-Form] pair-potential. | Including pre-tabulated data in a model. | potable |
Instantiating atsim.potentials.Potential
Objects |
Python API |
| Tabulating EAM Ag model for LAMMPS | |
| Tabulate Al-Cu EAM Alloy Potentials | |
| Tabulate Al-Fe Finnis-Sinclair EAM potentials | |
| Finnis-Sinclair Tabulation using potable | potable |
Working with potable files in Python |
Python API |
Working with
potable files in PythonOverriding and adding items
|
Python API |