CPMD

General Information

Short Description: Car-Parrinello Molecular Dynamics

Long Description:
a plane wave/pseudopotential implementation of Density Functional Theory for ab-initio molecular dynamics.

Category: Applications - Scientific and Engineering: Computational Biology
Applications - Scientific and Engineering: Computational Chemistry

Vendor/Developer: CPMD Consortium

Vendor Website: http://www.cpmd.org/

Software Website: http://www.cpmd.org/manual/manual.html

Programming Language:

Terms of Use:

Installation Information

Version:      Version Date: 0000-00-00

Installed Site: National Center for Supercomputing Applications

Installed Platform: IA-64 Linux Cluster

Point of Contact: Sudhakar Pamidighantam

Installation Status: Complete

Installation Date: 2006-04-20

Usage Information

Usage URL:

Usage Information:
For a batch script example, please look at 'cpmd.job' in /usr/projects/chemistry/cpmd/CPMD-3.11.1/example/inputs/02-h2o_pbc directory.

User Guide Homepage:

License Information

Number of Licenses:

User Fee:

Type of License: Served

Type of Installation: Available to all allocated users

Distribution Information: