How To Install Ccarun?

How To Install Ccarun?

ccarun

Massively Parallel Quantum Chemistry Program

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Maintainer: Debichem Team
Email: [email protected] .
Website: http://www.mpqc.org
Section: science

Install ccarun

  • Debian apt-get install mpqc Click to copy
  • Ubuntu apt-get install mpqc Click to copy
  • Kali Linux apt-get install mpqc Click to copy
  • Fedora dnf install mpqc Click to copy
  • Raspbian apt-get install mpqc Click to copy

mpqc

Massively Parallel Quantum Chemistry Program

MPQC is an ab-inito quantum chemistry program. It is especially designed to compute molecules in a highly parallelized fashion. It can compute energies and gradients for the following methods: * Closed shell and general restricted open shell Hartree-Fock (HF) * Density Functional Theory (DFT) * Closed shell second-order Moeller-Plesset pertubation theory (MP2) Additionally, it can compute energies for the following methods: * Open shell MP2 and closed shell explicitly correlated MP2 theory (MP2-R12) * Second order open shell pertubation theory (OPT2[2]) * Z-averaged pertubation theory (ZAPT2) It also includes an internal coordinate geometry optimizer. MPQC is built upon the Scientific Computing Toolkit (SC).

To install the latest version of ccarun in your favorite operating system just copy the ccarun installation command from above and paste it into terminal. It will download and install the latest version of ccarun 2023 package in your OS.