etano / simpimc
Simple path integral Monte Carlo
☆9Updated 8 years ago
Alternatives and similar repositories for simpimc
Users that are interested in simpimc are comparing it to the libraries listed below
Sorting:
- Open source stochastic quantum chemistry☆74Updated 3 weeks ago
- A set of lecture notes on path-integral quantum Monte Carlo☆14Updated 3 years ago
- Arrow - Fast Semistochastic Heat Bath Configuration Interaction Solver (SHCI)☆28Updated 2 years ago
- Coupled Cluster for solids. Mirror of https://gitlab.cc4s.org/cc4s/cc4s☆20Updated 10 months ago
- The mainline development distribution for QWalk☆35Updated 5 years ago
- interacting Dynamic Electrons Approach☆27Updated 9 months ago
- do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals☆82Updated 11 months ago
- A fully autodifferentiable and variational HF☆41Updated 4 years ago
- A poor man's density functional theory program☆13Updated 6 months ago
- A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaus…☆58Updated 9 months ago
- QMCPACK Users Workshop 2019☆13Updated 5 years ago
- A flexible and performant framework for training machine learning potentials.☆19Updated this week
- Arbitrary order exchange-correlation functional derivatives using JAX.☆22Updated 4 years ago
- Finite element methods for electronic structure calculations on small systems☆37Updated 3 weeks ago
- WEST code☆21Updated 2 months ago
- C++ and Python library for Polarizable Embedding☆22Updated 8 months ago
- Topological Analysis for Molecular Systems☆17Updated 6 years ago
- Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis☆14Updated this week
- n2v: Density-to-potential Inversion Suite☆23Updated 2 years ago
- A classical Density Functional Theory code to calculate the properties of hard spheres or Lennard-Jones particles in planar geometry i.e.…☆16Updated 3 months ago
- solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆35Updated 2 weeks ago
- Files for QMC Workshop 2021☆57Updated 3 years ago
- Hartree-Fock Python☆18Updated 2 years ago
- Pseudopotential Studio☆20Updated 4 years ago
- Educational code for Density Functional Theory and Quantum Monte Carlo with Python☆20Updated 6 years ago
- Matlab Simulation Package for Ab-initio Real-space Calculations☆28Updated 5 months ago
- adcc: Seamlessly connect your program to ADC☆35Updated 3 weeks ago
- Materials used in a school on QMC methods☆26Updated 5 years ago
- On-the-fly generator of space-group irreducible representations☆49Updated this week
- PRinceton Orbital-Free Electronic Structure Software☆28Updated 4 years ago