mpqc command not found
Introduction
When you run more command in linux terminal / console, you get the following error message
mpqc: command not found
or when using sudo you get the following error message
sudo: mpqc: command not found
Solutions to mpqc: command not found
How To Fix mpqc: command not found in Ubuntu / Debian / Kali Linux / Raspbian
In Ubuntu mpqc is provided by mpqc package.
mpqc is:
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 perturbation 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 fix this problem, we can install more using the command below.
sudo apt-get -y install mpqc
This command might take some time to finish depending on your machine internet connection.
You can also use apt command to install mpqc.
sudo apt -y install mpqc
Or if you have aptitude installed you can use the following command.
sudo aptitude install mpqc
Summary
In this tutorial we learn how to fix mpqc command not found error in Ubuntu / Debian / Kali Linux or Raspbian distribution.