Python Module Index

a | c | d | e | f | i | l | m | n | o | p | q | r | s | t | u | v


	a
	`ase`
	`ase.io.extxyz`	Python reference implementation of Extended XYZ I/O
	`atomeye`	AtomEye atomistic configuration viewer
	`quippy.adjustablepotential`	`Learn on the Fly` adjustable potential
	`quippy.asap`	ASAP file reader and writer
	`quippy.atomeyewriter`	AtomEye image writer
	`quippy.atoms`	Representation of atomic configurations

	c
	`quippy.castep`	CASTEP file readers and writers
	`quippy.cinoutput`	XYZ and NetCDF I/O using fast C routines
	`quippy.clusters`	Cluster carving routines
	`quippy.crack`	Tools for fracture simulations
	`quippy.cube`	Gaussian CUBE I/O

	d
	`quippy.dan`	DAN visualisation code writer
	`quippy.dictionary`	Fortran dictionary for storing key/value pairs
	`quippy.dynamicalsystem`	Run molecular dynamics simulations

	e
	`quippy.elasticity`	Elasticity calculations
	`quippy.electrostaticembed`	Tools for electrostatic embedding

	f
	`f2py_wrapper_gen`	Generate simplified Fortran 90 source suitable for f2py
	`f90doc`	Read Fortan 90 sources and extract documenataion strings
	`quippy.farray`	Fortran one-based array indexing
	`quippy.find_surface_atoms`	identification of atoms on surfaces
	`quippy.fortranio`	Fortran input/output

	i
	`quippy.imd`	IMD checkpoint reader
	`quippy.io`	Read and write atomic configurations

	l
	`quippy.linearalgebra`	Linear algebra rountines
	`quippy.lotf`	`Learn on the Fly` dynamics

	m
	`quippy.mpi_context`	MPI parallel interface

	n
	`quippy.netcdf`	Python reference implementation of NetCDF I/O
	`quippy.nmwiz`

	o
	`quippy.oo_fortran`	Fortran 90 derived-type support

	p
	`quippy.paramreader`	Command line argument parser
	`quippy.periodictable`	Element data
	`quippy.phonons`	Evaluate phonons
	`quippy.polarization`	Tools for polarizable potentials
	`quippy.potential`	Evaluate interatomic potentials
	`quippy.povray`	POV-ray script writer

	q
	`qlab`	Interactive visualisation of atomic systems
	`quippy`
	`quippy.qpxml`	Functions for manipulating GAP xml
	`quippy.quaternions`	Quaternions and rotation

	r
	`quippy.real_space_covariance`	Representation of atomic environments

	s
	`quippy.simplex`	Nelder and Mead minimisation algorithm
	`quippy.spline`	Cubic spline interpolation
	`quippy.structures`	Structure building routines
	`quippy.system`	Low-level routines

	t
	`quippy.table`	Fortran type for dynamically extendable arrays
	`quippy.topology`	utilities for topological analysis

	u
	`quippy.units`	Units and physical constants
	`quippy.util`	Python utility functions

	v
	`quippy.vasp`	VASP POSCAR and OUTCAR readers and writers