GitLab

The E-CAM Library is a collection of software, applications and tools relevant to the target research community of E-CAM.

Electronic Structure Library Demonstrator showing how to build a basic plane-wave/LCAO code from ESL components. Please note that this is a mirror of https://gitlab.com/ElectronicStructureLibrary/esl-demo.

Solvers for quantum atomic radial equations

This repository contains all of the source codes related to the E-CAM Particle Insertion modules

Introductory tutorial on TPS, committor analysis, and (MS)TIS with OpenPathSampling

The E-CAM Library is a collection of software, applications and tools relevant to the target research community of E-CAM.

Tutorial notebooks on writing Python bindings for C, C++, and Fortran. This material is for the E-CAM ESDW: Intelligent HTC 2018 in Turin.

Parallel Iterative Kohn-Sham Solvers (PIKSS)

Create a minimal version of a MD package (In the first place we use Espresso++) with an HPC layer managed by a the HPX, Charm++ and/or Kokkos or a combination of Charm++.

Library implementing the orbital minimization method for solving the Kohn-Sham equation as a generalized eigenvalue problem. Please note that this is a mirror of https://gitlab.com/ElectronicStructureLibrary/omm-bundle.

This repository is home to the modules that are generated by the Electronic Structure work package (including from ESDWs, post-docs and other sources).

This module solve the weighted linear ridge regression problem

This repository is home to the modules that are generated by the Quantum Dynamics work package (including from ESDWs, post-docs and other sources).

This repository is home to the modules that are generated by the Quantum Dynamics work package (including from ESDWs, post-docs and other sources).

The E-CAM Library is a collection of software, applications and tools relevant to the target research community of E-CAM.

The E-CAM Library is a collection of software, applications and tools relevant to the target research community of E-CAM.

This repository is home to the modules that are generated by the Electronic Structure work package (including from ESDWs, post-docs and other sources).

This repository is home to the modules that are generated by the Electronic Structure work package (including from ESDWs, post-docs and other sources).

The E-CAM Library is a collection of software, applications and tools relevant to the target research community of E-CAM.