ccp5UK / dl-polyLinks
mirrored from https://gitlab.com/ccp5/dl-poly/
☆10Updated this week
Alternatives and similar repositories for dl-poly
Users that are interested in dl-poly are comparing it to the libraries listed below
Sorting:
- Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters☆44Updated last month
- Full public release of large scale and linear scaling DFT code CONQUEST☆117Updated last month
- Resources for teaching quantum chemistry courses in Bonn☆42Updated 6 months ago
- PRinceton Orbital-Free Electronic Structure Software☆29Updated 5 years ago
- Many-body dispersion library☆59Updated 3 months ago
- Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.☆79Updated last week
- adcc: Seamlessly connect your program to ADC☆38Updated this week
- Gold-Standard Chemical Database 138 (GSCDB138)☆30Updated last month
- Open Orbital Optimizer☆33Updated last week
- A general purpose library to study vibrational problems using diffusion monte carlo☆17Updated last year
- TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis☆36Updated 2 months ago
- public version of our general contraction code project☆11Updated last week
- Notes on Electronic Structure Theory (CHEM532)☆25Updated 11 months ago
- MultiResolution Chemistry☆40Updated this week
- WEST code☆31Updated 6 months ago
- CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry☆73Updated 6 months ago
- MRH's research code☆25Updated last week
- SPMS table of pseudopotentials☆21Updated 3 years ago
- TREX I/O library☆64Updated last month
- Reusable DFT Grids for the Masses☆19Updated 4 months ago
- Coupled-cluster package written in Python.☆46Updated 2 months ago
- Repository for all summer program related programs☆47Updated 5 months ago
- optking: A molecular geometry optimization program☆26Updated 5 months ago
- A Framework for Database Accelerated Quantum Chemistry☆11Updated last year
- Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.☆53Updated this week
- QMC=Chem version 2☆20Updated last month
- Pythonic electronic structure theory.☆23Updated last week
- Library first implementation of the D3 dispersion correction☆77Updated 5 months ago
- ☆12Updated 11 months ago
- Tight Binding Machine Learning Toolkit☆45Updated 2 months ago