nlesc-jcer Goto Github PK

bestpractices

A list of Libraries, blogs, manual, etc. for numerical simulations best practices

bicgstabell

Krylov subspace iterative solvers for linear systems

bicgstabl

blog_spectra

carbon

Rust package for educative purposes

cpp2wasm

Guide to make C++ available as a web application

davidsoneigen

Implementation of the (matrix free) Davidson Algorithm using Eigen

davidsonpython

Simple Implementation of the Davidson methods in Python

eigencuda

Offload Eigen operations to GPUs

eigensolverelemental

fermiflow-qmctorch

Using the FermiFlow implementation of continuous normalizing flows for QMC with orbitals provided by QMCTorch

fortran_davidson

Davidson eigensolver implemented in Fortran

fortran_mkl_container

A Container for Fortran and MKL

gbenchlinalg

Google Benchmark of Linear Algebra packages

hpgem-docker-

Docker file that installs hpgem on an Ubuntu base

iterativesolversforlinearsystems

Krylov subspace solvers for linear systems

parareal

Educational implementation of Parareal (parallel in time) algorithm in C++

pybindtaskforce

pychamp

An implementation of Quantum Monte Carlo in Python

pyspectra

Python interface to the Spectra library

qmc

Deep Learning for Quantum Monte Carlo Simulations

qmcblip

qmcflow

Implementation of an element-wise normalizing flow to solve the Schrödinger equation with QMC for simple 1D potentials

qmctorch

Pytorch Implementation of Real Space Quantum Monte Carlo Simulations of Molecular Systems

quantumdraw

Can You Beat Neural Nets at Quantum Mechanics

quicklb

quick loadbalancer for hpc applications

roquefort

Fortran refactoring tools

run-cpp-on-web

cpp2wasm blogs

schrodinet

RBF-NN QMC for potential problem

sparse_solver