Username / Password :   

    $  .  /  0  1  2  3  4  6  8  9  A  B  C  D  E  F  G  H  I  J  K  L  M  N  O  P  Q  R  S  T  U  V  W  X  Y  Z  [  ~
The LinuxDig.Com Linux Dictionary is currently in Beta.
You can help, email Comments or Suggestions here.
I.E. users please click.
Number of Terms : 8142 Number of Definitions : 9135

mpqc

1. The Massively Parallel Quantum Chemistry Program MPQC computes the properties of molecules through ab-initio methods. It can compute closed shell and general restricted open shell Hartree-Fock energies and gradients, density functional theory energies and gradients, second order open shell perturbation theory (OPT2[2]) and Z-averaged perturbation theory (ZAPT2) energies, and second order closed shell Moeller-Plesset perturbation theory energies and gradients. It also includes an internal coordinate geometry optimizer. MPQC is build upon the Scientific Computing Toolkit (SC). From Debian 3.0r0 APT
Source:
Linux Dictionary (version 0.12)
author: Binh Nguyen
linuxfilesystem(at)yahoo(dot)com(dot)au

This Linux Dictionary is distributed under the GNU
Free Documentation License. Online version is at
http://www.tldp.org/LDP/Linux-Dictionary/html/index.htm




Site Hosted By Digital Environments, Inc. This Website was Created with DE-Web Version 1.9.7.4,
The Fast, Web Based - Website Design Tool, Groupware and Web Hosting System by Digital Environments, Inc.
Groupware:Project Management, Sales Tracking, Web Site Design and News / Blogger all in one package.