Allen-Tildesley / correctionsLinks
Corrections to the text of the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford University Press, 2017)
☆32Updated 2 years ago
Alternatives and similar repositories for corrections
Users that are interested in corrections are comparing it to the libraries listed below
Sorting:
- Resources for teaching quantum chemistry courses in Bonn☆41Updated last month
- Many-body dispersion library☆55Updated 9 months ago
- MultiResolution Chemistry☆33Updated 2 months ago
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆51Updated 9 months ago
- Tight Binding Machine Learning Toolkit☆39Updated 2 weeks ago
- Computational Statistical Mechanics Tutorials☆15Updated 12 years ago
- Data files which may be used to test examples accompanying the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. T…☆15Updated 7 years ago
- a unified interface for molecular harmonic vibrational frequency calculations☆31Updated 11 months ago
- QE-GIPAW for Quantum-Espresso (official repository)☆35Updated last month
- optking: A molecular geometry optimization program☆23Updated 5 months ago
- Solution of Hartree-Fock equations within Pople's STO-3G basis set☆37Updated 6 years ago
- Computational Chemistry Input Generator☆48Updated 8 months ago
- libdlfind is a C-API and Python interface to the DL-FIND geometry optimization library☆17Updated last year
- Molecular dynamics and Monte Carlo simulation package for polymeric and molecular liquids☆34Updated 3 years ago
- A set of tutorials to introduce new users to mBuild☆11Updated 4 years ago
- Basis set optimization library for quantum chemistry☆35Updated 2 weeks ago
- Coarse-graining potentials from atomistic references made easy☆26Updated 3 years ago
- Modular computation tool chain library☆19Updated last month
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆44Updated this week
- Tracking citations of atomistic simulation engines☆23Updated last week
- An API for the Polarizable Continuum Model☆34Updated 2 years ago
- A library that enables code interoperability via the MolSSI Driver Interface.☆33Updated 5 months ago
- A fast domain decomposition based implementation of the COSMO solvation model☆15Updated 5 years ago
- Gauge-including magnetically induced currents.☆28Updated last year
- The future of Packmol☆35Updated last month
- Geometrical Counter-Poise Correction☆11Updated 7 months ago
- Nudged-Elastic Band implementation in python☆25Updated 8 years ago
- Library first implementation of the D3 dispersion correction☆67Updated 2 months ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆82Updated last year
- Python tool to manipulate Gaussian cube files☆44Updated 2 years ago