psi4 VS espresso

Compare psi4 vs espresso and see what are their differences.

psi4

Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python (by psi4)
quantum-chemistry C++ Python computational-chemistry Chemistry Physics
Source Code
psicode.org
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espresso

The ESPResSo package (by espressomd)
C++ Scientific Computing soft-matter molecular-dynamics lattice-boltzmann Physics Python
Source Code
espressomd.org
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psi4 espresso
2 1
924 217
1.5% 1.8%
8.7 9.1
5 days ago 3 days ago
C++ C++
GNU Lesser General Public License v3.0 only GNU General Public License v3.0 only
The number of mentions indicates the total number of mentions that we've tracked plus the number of user suggested alternatives.
Stars - the number of stars that a project has on GitHub. Growth - month over month growth in stars.
Activity is a relative number indicating how actively a project is being developed. Recent commits have higher weight than older ones.
For example, an activity of 9.0 indicates that a project is amongst the top 10% of the most actively developed projects that we are tracking.

psi4

Posts with mentions or reviews of psi4. We have used some of these posts to build our list of alternatives and similar projects.

espresso

Posts with mentions or reviews of espresso. We have used some of these posts to build our list of alternatives and similar projects.
  • Cmake error
    1 project | /r/cmake | 13 Sep 2021
    With the addition of the build directory you created of course. I took this list from their repo. Be sure to download the sources before trying to build the project: https://github.com/espressomd/espresso

What are some alternatives?

When comparing psi4 and espresso you can also consider the following projects:

xtb - Semiempirical Extended Tight-Binding Program Package

lammps - Public development project of the LAMMPS MD software package

nwchem - NWChem: Open Source High-Performance Computational Chemistry

BOUT-dev - BOUT++: Plasma fluid finite-difference simulation code in curvilinear coordinate systems

openmm - OpenMM is a toolkit for molecular simulation using high performance GPU code.

HartreeFock - A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaussian orbitals

Kratos - Kratos Multiphysics (A.K.A Kratos) is a framework for building parallel multi-disciplinary simulation software. Modularity, extensibility and HPC are the main objectives. Kratos has BSD license and is written in C++ with extensive Python interface.

openbabel - Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

miniMD - MiniMD Molecular Dynamics Mini-App

root - The official repository for ROOT: analyzing, storing and visualizing big data, scientifically

plumed2 - Development version of plumed 2

psi4 vs xtb espresso vs lammps psi4 vs nwchem espresso vs BOUT-dev psi4 vs BOUT-dev espresso vs openmm psi4 vs HartreeFock espresso vs Kratos psi4 vs openbabel espresso vs miniMD psi4 vs root espresso vs plumed2