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acs2022_workshop_sparc

Materials for the SPARC tutorial at ACS CATL Fall 2022 Open Source Software Workshops

ai-notebooks

Some ipython notebooks implementing AI algorithms

candid.vim

A light & dark vim/neovim color scheme inspired in the awesome VSCode Plastic theme and onedark.

chinesechess-alphazero

Implement AlphaZero/AlphaGo Zero methods on Chinese chess.

d_z_gemm

A general matrix-matrix multiplication routine for real-matrices times complex matrices

deeplearning.ai-andrewng

deeplearning.ai , By Andrew Ng, All slide and notebook + data + solutions and video link

dftfe

DFT-FE: Real-space DFT calculations using Finite Elements

elpa_test

a standalone ELPA test

fastbook

The fastai book, published as Jupyter Notebooks

gruvbox

Retro groove color scheme for Vim

hello_world_mpi_c

A simple hello world MPI program in C

hpc_playground

Some HPC experiment codes

m-sparc

matlab_real_space

Electronic structure code for molecules and clusters

matrix_derivatives

This is a note on matrix derivatives and described my own experience in detail. Hope you'll like it.

mpi_testing_ground

pdsygvd

Parallel Divide and Conquer generalized eigensolver using ScaLAPACK

poisson2d_fem

Finite Element Method for Solving 2D Poisson Equation

sg15-oncv-psp8

SG15 pseudopotentials in psp8 converted from the upf files

sg15_pseudopotentials_psp8_upf

A collection of the SG15 pseudopotentials in the psp8 format

single_atom_mesh_convergence

skillsworkshop2017

sparc

Simulation Package for Ab-initio Real-space Calculations

spherical_harmoics

Routines for computing spherical harmonics

the-pragmatic-programmer

Summary of the book The Pragmatic Programmer by Andrew Hunt and David Thomas

vim-sublime-monokai

Vim Monokai color scheme that tries to be as faithful as possible to Sublime's Monokai syntax highlighting