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☆56Updated 11 months ago
- optking: A molecular geometry optimization program☆23Updated last week
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆53Updated last month
- a unified interface for molecular harmonic vibrational frequency calculations☆31Updated last month
- Notes on Electronic Structure Theory (CHEM532)☆25Updated 6 months ago
- An API for the Polarizable Continuum Model☆35Updated 2 years ago
- Library first implementation of the D3 dispersion correction☆69Updated last week
- Solution of Hartree-Fock equations within Pople's STO-3G basis set☆38Updated 6 years ago
- Geometrical Counter-Poise Correction☆11Updated 9 months ago
- A C++ library for the efficient evaluation of integrals over effective core potentials.☆28Updated last year
- PRinceton Orbital-Free Electronic Structure Software☆29Updated 5 years ago
- A fast domain decomposition based implementation of the COSMO solvation model☆15Updated 5 years ago
- Tight Binding Machine Learning Toolkit☆44Updated this week
- The release-only repository of the subsystem focused quantum chemistry code Serenity☆37Updated 4 months ago
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆44Updated last month
- The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-in…☆45Updated 2 years ago
- MultiResolution Chemistry☆34Updated this week
- Coarse-graining potentials from atomistic references made easy☆26Updated 3 years ago
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆34Updated last month
- Basis set optimization library for quantum chemistry☆35Updated 2 months ago
- Computational Chemistry Input Generator☆48Updated 9 months ago
- libdlfind is a C-API and Python interface to the DL-FIND geometry optimization library☆19Updated last year
- adcc: Seamlessly connect your program to ADC☆37Updated 2 weeks ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆82Updated last year
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- A simple cube file viewer based on pythreejs☆24Updated last year
- 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
- Python tool to manipulate Gaussian cube files☆44Updated 2 years ago
- Ewald summation program for computing the long range Coulomb interactions in 3D Periodic systems☆17Updated 8 years ago