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 months ago
- Tools to interface ChIMES with various external codes.☆22Updated last month
- Many-body dispersion library☆56Updated last year
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆55Updated 2 weeks ago
- Computational Statistical Mechanics Tutorials☆15Updated 12 years ago
- optking: A molecular geometry optimization program☆24Updated last month
- ☆30Updated 5 years ago
- A set of tutorials to introduce new users to mBuild☆11Updated 4 years ago
- Ewald summation program for computing the long range Coulomb interactions in 3D Periodic systems☆17Updated 8 years ago
- Basis set optimization library for quantum chemistry☆35Updated 3 months ago
- The future of Packmol☆38Updated 4 months ago
- Notes on Electronic Structure Theory (CHEM532)☆25Updated 8 months ago
- Computational Chemistry☆19Updated 5 years ago
- An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries☆21Updated last year
- Gaussian Approximation Potential Training☆17Updated 3 years ago
- Coarse-graining potentials from atomistic references made easy☆26Updated 4 years ago
- Geometrical Counter-Poise Correction☆12Updated 10 months ago
- An API for the Polarizable Continuum Model☆35Updated 2 years ago
- Gold-Standard Chemical Database 138 (GSCDB138)☆23Updated this week
- a unified interface for molecular harmonic vibrational frequency calculations☆31Updated 2 months ago
- The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-in…☆45Updated 2 years ago
- helPME: an efficient library for particle mesh Ewald☆29Updated 3 years ago
- ARC - Automatic Rate Calculator☆46Updated this week
- A research-grade quantum chemistry program written in Julia☆66Updated 4 years ago
- MultiResolution Chemistry☆36Updated this week
- 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 8 years ago
- Computational Chemistry Input Generator☆50Updated last week
- Tight Binding Machine Learning Toolkit☆44Updated last week
- The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…☆74Updated 4 months ago
- libdlfind is a C-API and Python interface to the DL-FIND geometry optimization library☆19Updated last year