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 2 weeks ago
- optking: A molecular geometry optimization program☆23Updated last week
- Ewald summation program for computing the long range Coulomb interactions in 3D Periodic systems☆17Updated 8 years ago
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆53Updated 3 weeks ago
- Many-body dispersion library☆55Updated 10 months ago
- MultiResolution Chemistry☆34Updated 3 months ago
- a unified interface for molecular harmonic vibrational frequency calculations☆31Updated 2 weeks ago
- Notes on Electronic Structure Theory (CHEM532)☆25Updated 5 months ago
- Computational Statistical Mechanics Tutorials☆15Updated 12 years ago
- Basis set optimization library for quantum chemistry☆35Updated last month
- Solution of Hartree-Fock equations within Pople's STO-3G basis set☆38Updated 6 years ago
- ☆30Updated 5 years ago
- Tight Binding Machine Learning Toolkit☆40Updated last week
- Python tool to manipulate Gaussian cube files☆44Updated 2 years ago
- New version of dft-book for Quantum Espresso☆45Updated 5 years ago
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆34Updated 3 weeks 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
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆82Updated last year
- helPME: an efficient library for particle mesh Ewald☆29Updated 3 years ago
- An API for the Polarizable Continuum Model☆34Updated 2 years ago
- PRinceton Orbital-Free Electronic Structure Software☆29Updated 5 years ago
- libdlfind is a C-API and Python interface to the DL-FIND geometry optimization library☆18Updated last year
- A set of tutorials to introduce new users to mBuild☆11Updated 4 years ago
- Library first implementation of the D3 dispersion correction☆68Updated 3 months ago
- An interactive structure viewer alongside its simulated diffraction pattern☆18Updated 5 months ago
- Computational Chemistry Input Generator☆48Updated 8 months ago
- Python script for calculating vibrational density of states (DOS) from LAMMPS dump file☆17Updated 11 months ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆44Updated last month
- Gauge-including magnetically induced currents.☆28Updated last year
- Repository for all summer program related programs☆46Updated last month