For Users

Anharmonic-LAttice-DYNamics (ALADYN) is a lattice dynamics code. It calculates thermodynamic and thermal transport properties of solid crystalline materials from data on their force and potential energy as a function of positions, using density functional theory or classical molecular dynamics as input data.

For installation and usage instructions, please read our documentation.

If you have any queries and want to know more about our code, please visit our forum hosted at the MATSCI Community Discourse.

For Developers

Code contribution

The developers should follow these conventions when adding their contribution to the project:

• Documentation: at the beginning of every fortran subroutine add a comment which explains what the subroutine does and why. The comments at the top of the subroutine should start with !!

  As an example:

  Subroutine svd(n,m,a,b,x)
  !! this subroutine performs a singular value decomposition to solve a set of overdetermined linear equations defined by the matrix a(n,m) and array b(n)
  !! it is used to solve for the force constants given force-displacement data
  

  In the above example, the first line explains what it does and the second line explains why it is used.

• Style: Standard fortran programming style should be adopted:

  All subroutines must start with IMPLICIT NONE

  Intent of every variable must be specified (IN, OUT, or INOUT)

  END statements should be followed with the name of the corresponding subroutine

Local build

To build the docs webpage locally:

pip install sphinx sphinx-rtd-theme
cd docs
make html

Open build/html/index.html in your browser.