Scalable Molecular Analysis Solver for High-performance computing systems (SMASH) is massively parallel software for quantum chemistry calculations and released under the Apache 2.0 open source license. It is currently capable of energy, analytical gradient, and geometry optimization calculations of Hartree-Fock theory and Density Functional Theory (DFT), and energy calculations of Second-order Moller-Plesset (MP2) perturbation theory. DFT calculations can be performed on 100,000 CPU cores with high parallel efficiency.

Project Activity

See All Activity >

License

Apache License V2.0

Follow SMASH

SMASH Web Site

Other Useful Business Software
Our Free Plans just got better! | Auth0 Icon
Our Free Plans just got better! | Auth0

With up to 25k MAUs and unlimited Okta connections, our Free Plan lets you focus on what you do best—building great apps.

You asked, we delivered! Auth0 is excited to expand our Free and Paid plans to include more options so you can focus on building, deploying, and scaling applications without having to worry about your security. Auth0 now, thank yourself later.
Try free now
Rate This Project
Login To Rate This Project

User Reviews

Be the first to post a review of SMASH!

Additional Project Details

Operating Systems

Linux, BSD

Intended Audience

Science/Research

User Interface

Console/Terminal, Command-line

Programming Language

Fortran

Related Categories

Fortran Molecular Science Software, Fortran Chemistry Software

Registered

2014-08-28