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 |