This is a python module that solves one-dimensional potentials using a discrete variable representation method.
☆12Jul 25, 2022Updated 3 years ago
Alternatives and similar repositories for dvr_py
Users that are interested in dvr_py are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- This is a C version of the SCF code found in Appendix B of Modern Quantum Chemistry, An Introduction to Electronic Structure Theory by A.…☆10Jan 1, 2019Updated 7 years ago
- Inputs and hand-outs for a PIMD tutorial based on i-PI☆13Jun 29, 2018Updated 7 years ago
- Python re-implementation of szabo.f☆10Jul 30, 2015Updated 10 years ago
- Python quantum chemistry (experimental and test routines)☆12May 21, 2021Updated 4 years ago
- Computational tools for light-matter interaction including a whole zoo of nonlinear spectroscopic signals; nonadiabatic molecular dynamic…☆21Mar 19, 2026Updated last week
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Molecular kaleidoscope☆15Apr 11, 2018Updated 7 years ago
- Calculate the dispersion energy and related quantities in gas-phase systems using the exchange-hole dipole moment (XDM) model.☆23May 29, 2025Updated 9 months ago
- Tutorials about computational chemistry☆13Sep 22, 2024Updated last year
- MPSQD is a Python package based on matrix product states (MPS) to simulate both the time-dependent Schrodinger equation (TDSE) and the h…☆13Nov 14, 2024Updated last year
- CHEM331 - Physical Chemistry I☆11Dec 4, 2017Updated 8 years ago
- ☆12Mar 5, 2026Updated 2 weeks ago
- ☆24Mar 12, 2026Updated 2 weeks ago
- Simple Hartree-Fock codes in Python, C++, fortran☆15Mar 3, 2018Updated 8 years ago
- NSERC-USRA Funded Research Project on RBF Interpolation☆12Oct 20, 2016Updated 9 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- Python package for calculating wavefunctions for 1D and 2D potentials.☆88Jan 15, 2015Updated 11 years ago
- Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.☆55Feb 4, 2026Updated last month
- Simple path integral Monte Carlo☆10Jan 3, 2017Updated 9 years ago
- A Universal Neural Network Solver for The Schrödinger Equation☆11Dec 3, 2024Updated last year
- Automated workflow to predict multireference character of molecules in quantum chemistry calculation☆23Nov 3, 2022Updated 3 years ago
- ☆54Updated this week
- A set of lecture notes on path-integral quantum Monte Carlo☆14Nov 29, 2021Updated 4 years ago
- ☆15Dec 2, 2025Updated 3 months ago
- Calculate allowed interactions in QED☆10Nov 2, 2022Updated 3 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- GDB with patches for debugging MSVC binaries☆13Dec 21, 2020Updated 5 years ago
- Quantum Monte Carlo for the harmonic oscillator☆14Jan 27, 2021Updated 5 years ago
- A python package for performing full multiple spawning nonadiabatic molecular dynamics simulations☆25Jan 4, 2026Updated 2 months ago
- Automatically generated docstring stubs☆28Jul 20, 2023Updated 2 years ago
- The link to the website is at☆14Aug 12, 2015Updated 10 years ago
- 李航《统计学习方法》书的每一章节核心提炼以及Python代码实现,可以直接运行在Anaconda的Jupyter里面,从即日起抽时间不断更新,详见Readme.☆27Feb 21, 2019Updated 7 years ago
- Demos for new reactive API☆20Feb 26, 2025Updated last year
- 山东大学毕业论文(设计)Latex模板☆23Mar 11, 2024Updated 2 years ago
- A python script to obtain XYG3-type doubly hybrid (xDH) results using the standard Gaussian xx package (xx=03, 09 and/or 16)☆15Sep 21, 2022Updated 3 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Implementation of the EMUS algorithm for recombining multiple biased data sources in python☆14Mar 9, 2024Updated 2 years ago
- Sample of PySide6 Clean Architecture (Qt, QML, Python, PySide6)☆16Aug 13, 2025Updated 7 months ago
- Create of Local Copy of the famous EMSL Basis Set Exhange. No more lag and a API for scripting.☆16Aug 8, 2017Updated 8 years ago
- A simple Hartree-Fock implementation in Julia☆14Nov 3, 2019Updated 6 years ago
- Basic implementation 4th order Runge Kutta method for ODE's☆11Oct 27, 2021Updated 4 years ago
- ☆48Updated this week
- Path integral quantum Monte Carlo☆27Mar 5, 2014Updated 12 years ago