josephwright / achemsoLinks
LaTeX class for submissions to the American Chemical Society (ACS), and BibTeX styles for all ACS journals
☆42Updated 3 months ago
Alternatives and similar repositories for achemso
Users that are interested in achemso are comparing it to the libraries listed below
Sorting:
- Python interface for VASP☆88Updated 2 weeks ago
- Gauge-including magnetically induced currents.☆31Updated 2 years ago
- ASE density-functional tight-binding calculator☆68Updated 11 months ago
- Specification of a common REST API for access to materials databases☆98Updated 2 weeks ago
- Library for Bayesian error estimation functionals for use in density functional theory codes☆28Updated 2 years ago
- A Toolbox for Post-Processing Quantum Chemical Wavefunction Data☆98Updated 4 years ago
- ase interface for Quantum Espresso☆68Updated 5 years ago
- Molden2AIM is a utility program which can be used to create AIM-WFN, AIM-WFX, and NBO-47 files from a Molden file.☆59Updated 5 months ago
- Python framework for generating and validating pseudo potentials☆50Updated 2 years ago
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆55Updated 2 weeks ago
- Non-covalent index plots in molecular systems.☆20Updated 8 years ago
- Fully validating pure-python CP2K input file tools including preprocessing capabilities☆56Updated last week
- ase interface for Quantum Espresso☆22Updated 4 years ago
- Many-body dispersion library☆57Updated 2 months ago
- GUI4dft - first free SIESTA oriented GUI☆27Updated 2 months ago
- ☆21Updated 2 months ago
- Python Cp2k interface☆100Updated 3 years ago
- ☆23Updated 2 weeks ago
- Inputs and hand-outs for a PIMD tutorial based on i-PI☆13Updated 7 years ago
- kMC on steroids: A vigorous attempt to make lattice kinetic Monte Carlo modelling easier☆58Updated this week
- calculate chemical bond strength in solids, surfaces and molecules☆23Updated 3 months ago
- Examples of using the Atomic Simulation Environment☆39Updated 9 years ago
- A Python code to quickly derive ab initio parameterized force fields.☆44Updated 2 years ago
- A PyMOL plugin for visualizing vibrations in molecules and solids☆44Updated 2 months ago
- The Open Knowledgebase of Interatomic Models (OpenKIM) aims to be an online resource for standardized testing, long-term warehousing and …☆35Updated last month
- Library first implementation of the D3 dispersion correction☆76Updated 4 months ago
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆76Updated this week
- The official AiiDA plugin for Quantum ESPRESSO☆72Updated last month
- Plots absorption spectra from from ORCA output files☆20Updated last year
- A plugin to AiiDA for running simulations with VASP☆60Updated last week