Ecosyste.ms: Awesome

https://github.com/alexbuccheri/bethe-salpeter

Real-space implementation of the Bethe-Salpeter equation

Last synced: 15 Dec 2024

https://github.com/alexbuccheri/matlab-tight-binding

Matlab program for fitting the bulk parameters of the nearest neighbour sp3s* tight-binding model

Last synced: 15 Dec 2024

https://github.com/alexbuccheri/qcoreutils

Utilities for generating entos Qcore input files and app tests, with the current focus on periodic xTB

Last synced: 15 Dec 2024

https://github.com/alexbuccheri/fortran_unit_testing

Example builds for fortran unit testing frameworks

Last synced: 15 Dec 2024

https://github.com/alexbuccheri/isdf_fortran

Interpolative Separable Density Fitting Prototyping in Fortran

Last synced: 15 Dec 2024

https://github.com/alexbuccheri/exgw

GW Workflows for exciting

Last synced: 15 Dec 2024

https://github.com/alexbuccheri/fortran_snippets

Last synced: 15 Dec 2024

https://github.com/alexbuccheri/chebi

Last synced: 15 Dec 2024

https://github.com/alexbuccheri/isdf_prototyping

Prototyping ISDF Implementations for 2-electron Integrals

Last synced: 15 Dec 2024

https://github.com/alexbuccheri/custom_gpt2

Implementation of GPT2, as described by [Andrej Karpathy](https://www.youtube.com/watch?v=kCc8FmEb1nY&t=638s)

Last synced: 15 Dec 2024

https://github.com/alexbuccheri/oct_flow

Octopus Workflow Prototype

Last synced: 15 Dec 2024

https://github.com/alexbuccheri/wp_benchmarks

WP2 Benchmarks

Last synced: 15 Dec 2024

https://github.com/alexbuccheri/excitingworkflow

excitingworkflow prototype

Last synced: 15 Dec 2024

https://github.com/alexbuccheri/fortran_json

Example build and usage of Jacob Williams' JSON parser for fortran

Last synced: 15 Dec 2024

https://github.com/alexbuccheri/python

My python modules and scripts

Last synced: 15 Dec 2024

https://github.com/alexbuccheri/langchain_chatbot

Prototyping chatbots with langchain

chatbot langchain llm

Last synced: 15 Dec 2024

https://github.com/alexbuccheri/miniapp_skeleton

Build and linking for common library kernels. from fortran

Last synced: 15 Dec 2024

https://github.com/alexbuccheri/isdf_prototypes

Prototype code for Interoperable Separable Density Fitting (ISDF) of 2-e Integrals

Last synced: 15 Dec 2024

https://github.com/alexbuccheri/ford_example

Last synced: 15 Dec 2024

https://github.com/alexbuccheri/dog_drug_dosages

Last synced: 15 Dec 2024

https://github.com/alexbuccheri/random_sampling

Personal random sampling testing

fortran random-number-generators random-sampling

Last synced: 15 Dec 2024

https://github.com/alexbuccheri/mpi_snippets

Fortran MPI snippets for prototyping and personal reference

Last synced: 15 Dec 2024

https://github.com/alexbuccheri/fortran_kmeans

KMeans implementations in fortran

fortran kmeans kmeans-clustering

Last synced: 15 Dec 2024

https://github.com/alexbuccheri/blas_wrapping

Test interface wrapping of BLAS using assumed-rank.

Last synced: 15 Dec 2024

https://github.com/alexbuccheri/cmake-externalproject-example

An example of CMake's ExternalProject

Last synced: 15 Dec 2024

https://github.com/alexbuccheri/mpilib20

Fortran wrappers for MPI

Last synced: 15 Dec 2024

https://github.com/alexbuccheri/kerker_testing

Simple application of preconditioning in real and reciprocal space

Last synced: 15 Dec 2024

https://github.com/alexbuccheri/periodicxtbworkflows

Workflows and data analysis accompanying the paper "Periodic GFN1-xTB Tight-Binding: A Generalised Ewald Partitioning Scheme for the Klopman-Ohno Function"

Last synced: 13 Dec 2024