File: eos.rst

package info (click to toggle)
python-ase 3.26.0-2
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid
  • size: 15,484 kB
  • sloc: python: 148,112; xml: 2,728; makefile: 110; javascript: 47
file content (17 lines) | stat: -rw-r--r-- 375 bytes parent folder | download | duplicates (5)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
.. module:: ase.eos
.. index:: Bulk modulus

Equation of state
=================

The :class:`~ase.eos.EquationOfState` class can be used to find
equilibrium volume, energy, and bulk modulus for solids:

.. autoclass:: ase.eos.EquationOfState
  :members: fit, plot

Convenient helper function:

.. autofunction:: ase.eos.calculate_eos

.. seealso::  The :ref:`eos` tutorial.