zglan / JADE-NAMDLinks
JADE-NAMD: An package for the on-the-fly nonadiabatic molecular dynamics simulation
☆18Updated 4 years ago
Alternatives and similar repositories for JADE-NAMD
Users that are interested in JADE-NAMD are comparing it to the libraries listed below
Sorting:
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆29Updated 8 months ago
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 5 years ago
- ☆52Updated this week
- Basic programs for generating Slater-Koster files for the DFTB-method☆26Updated 5 months ago
- Amateurish molecular electronic structure program.(for linux)☆23Updated 8 years ago
- Visualize vibrational modes from VASP calculations☆41Updated 5 months ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆64Updated 7 months ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated last year
- PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+☆41Updated last year
- Ab initio tight binding simuation package☆28Updated last week
- Dealing with slabs for first principles calculations of surfaces☆64Updated last year
- Occupation matrix control modification VASP☆49Updated 5 years ago
- python workflow for GW-BSE calculation☆28Updated 2 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- ☆36Updated 5 years ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆32Updated 2 years ago
- Band structure unfolding made easy!☆53Updated 3 weeks ago
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆26Updated 2 years ago
- Tools for Phono(3)py power users.☆33Updated last year
- Interfacial Phonon code☆27Updated 2 years ago
- LAMMPS interface for phonon calculations using phonopy☆87Updated 10 months ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆54Updated last year
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆37Updated last month
- Site-Occupation Disorder☆41Updated 3 months ago
- quick analysis of vasp calculation☆36Updated last year
- Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)☆42Updated this week
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆43Updated last year
- The Temperature Dependent Effective Potentials (TDEP) code☆84Updated last week
- Allen-Feldman thermal conductivity compatible to GULP implementation☆19Updated 3 months ago
- Band unfolding for phonons☆54Updated 8 months ago