Elsevier Science Home
Computer Physics Communications Program Library
Full text online from Science Direct
Programs in Physics & Physical Chemistry
CPC Home

[Licence| Download | New Version Template] adis_v1_0.tar.gz(450 Kbytes)
Manuscript Title: Talus a Quantum Monte Carlo modelling suite.
Authors: M.L. Stedman, W.M.C. Foulkes
Program title: Talus
Catalogue identifier: ADIS_v1_0
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 113(1998)180
Programming language: C.
Computer: Digital AlphaStation 250.
Operating system: OSF1 V3.2 PL41, IRIX 5.3, SunOS 5.5.1, MS DOS 6, NT4.
RAM: 262K words
Word size: 16
Keywords: Monte carlo, Quantum monte carlo, Variational monte carlo, Diffusion monte carlo, Variance minimisation, Atoms, Solid state physics, Band structure.
Classification: 7.3.

Nature of problem:
Solution of the many-body Schrodinger equation to recover accurate measurements for ground state quantitites.

Solution method:
Quantum Monte Carlo simulation using accurate variance-minimised trial wavefunctions.

The computer time required to evaluate the spin-up and spin-down Slater determinants in the trial wavefunction scales as N**3, where N is the number of spin-up or spin-down particles.

Unusual features:
  1. Implements several Quantum Monte Carlo algorithms including Diffusion Monte Carlo (DMC), standard Variational Monte Carlo (VMC), and several accelerated VMC methods.
  2. An access veneer is used to make the Monte Carlo and measurement functions independent of the wavefunction. This ensures that new wavefunctions may be added with minimal implementation and testing overhead.
  3. The data gathering functions use a message passing paradigm.
  4. A doubly linked list structure is used to store walkers, drawing natural parallels between the Diffusion Monte Carlo (DMC) algorithm and the storage method.

Running time:
System dependent.