espresso VS psi4

Compare espresso vs psi4 and see what are their differences.

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

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 psi4
1 2
217 924
1.8% 1.5%
9.1 8.7
4 days ago 6 days ago
C++ C++
GNU General Public License v3.0 only GNU Lesser 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.

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

psi4

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

What are some alternatives?

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

lammps - Public development project of the LAMMPS MD software package

xtb - Semiempirical Extended Tight-Binding Program Package

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

nwchem - NWChem: Open Source High-Performance Computational Chemistry

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

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.

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

miniMD - MiniMD Molecular Dynamics Mini-App

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

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