The Asap simulator now supports OpenKIM

OpenKIM
1

Dear all,

I have just released Asap version 3.8.4, now with support for OpenKIM models.

Asap is a calculator for serial or parallel molecular dynamics, to be used together with the Atomic Simulation Environment. So Asap fills some of the same role as the current ASE calculator for KIM, but with the following main differences:

**** Advantages

* Supports all OpenKIM neighbour list styles.

* Supports parallel molecular dynamics on clusters using spacial domain decomposition and MPI communication.

* Reasonably well optimised.

**** Disadvantages

* Appears to be a bit tricky to install for everybody else than me :slight_smile:

See also:

https://wiki.fysik.dtu.dk/asap/asap Main page
https://wiki.fysik.dtu.dk/asap/Manual The manual - forever struggling to keep up with the code :slight_smile:
https://wiki.fysik.dtu.dk/asap/Installation Download and installation.

Note that OpenKIM support is still experimental, and needs to be enabled at compile time.

Best regards, and merry Christmas

Jakob

2

Hi Jakob,

This is great news! I've added ASAP to the list of software and projects using KIM that we maintain here: https://openkim.org/projects-using-kim/

Cheers,

Ryan

3

Dear Jakob,

Wonderful news! This is a great contribution to the growing suite of high-level computational tools that support KIM. Thank you for your work and the valuable suggestions and bug reports you submitted throughout the process.

Happy holidays!

Ellad