NWChemEx/ParallelZone

You're travelling through another dimension, a dimension not only of CPUs and threads but of GPUs; a journey into a wondrous land whose boundaries are bandwidth limited. That's the signpost up ahead - your next stop, the ParallelZone!

Language: C++ - Size: 19.5 MB - Last synced: about 9 hours ago - Pushed: about 9 hours ago - Stars: 0 - Forks: 1

NWChemEx/PluginPlay

An inversion-of-control framework for developing modular scientific software.

Language: C++ - Size: 41.8 MB - Last synced: about 10 hours ago - Pushed: about 10 hours ago - Stars: 10 - Forks: 2

NWChemEx/ChemCache

Basis sets, physical constants, geometries, basically any data you can just look up.

Language: Python - Size: 13.7 MB - Last synced: about 11 hours ago - Pushed: about 11 hours ago - Stars: 0 - Forks: 0

NWChemEx/CMakeBuild

Language: CMake - Size: 959 KB - Last synced: about 2 hours ago - Pushed: 1 day ago - Stars: 0 - Forks: 2

NWChemEx/Chemist

Library for describing chemical systems

Language: C++ - Size: 41.5 MB - Last synced: 2 days ago - Pushed: 2 days ago - Stars: 0 - Forks: 0

NWChemEx/FriendZone

Provides SimDE compatible APIs to existing packages

Language: Python - Size: 2.87 MB - Last synced: 2 days ago - Pushed: 3 days ago - Stars: 0 - Forks: 1

NWChemEx/NWXCMake

CMake modules and toolchains for NWChemEx

Language: CMake - Size: 70.3 KB - Last synced: 12 days ago - Pushed: 12 days ago - Stars: 0 - Forks: 0

NWChemEx/PluginPlayer

GUI for PluginPlay

Language: Python - Size: 3.19 MB - Last synced: 14 days ago - Pushed: 15 days ago - Stars: 0 - Forks: 1

NWChemEx/Utilities

Generic, helpful C++ classes

Language: C++ - Size: 8.75 MB - Last synced: 17 days ago - Pushed: 18 days ago - Stars: 0 - Forks: 1

NWChemEx/SimDE

Software development kit for the NWChemEx Community.

Language: C++ - Size: 8.74 MB - Last synced: 17 days ago - Pushed: 18 days ago - Stars: 0 - Forks: 0

NWChemEx/.github

GitHub Settings for the NWChemEx Organization

Language: Python - Size: 28 MB - Last synced: 17 days ago - Pushed: 18 days ago - Stars: 1 - Forks: 2

NWChemEx/TAMM

Tensor Algebra for many-body methods

Language: C++ - Size: 12.7 MB - Last synced: 24 days ago - Pushed: 29 days ago - Stars: 14 - Forks: 7

NWChemEx/NWChemEx

A top-level, user-focused, conglomerate repo for the NWChemEx project.

Language: C++ - Size: 7.74 MB - Last synced: 24 days ago - Pushed: about 1 month ago - Stars: 2 - Forks: 2

NWChemEx/PluginTemplate

A quickstart template for PluginPlay plugin libraries.

Language: CMake - Size: 12.7 KB - Last synced: 24 days ago - Pushed: about 2 months ago - Stars: 0 - Forks: 0

NWChemEx/TensorWrapper

A type-erased wrapper around various tensor backends

Language: C++ - Size: 18.5 MB - Last synced: 24 days ago - Pushed: 4 months ago - Stars: 0 - Forks: 0

NWChemEx/nwchemex.github.io

Website

Size: 547 KB - Last synced: 24 days ago - Pushed: 5 months ago - Stars: 0 - Forks: 0

NWChemEx/elsi_interface

NWChemEx mirror of the ELSI Library

Language: Fortran - Size: 45 MB - Last synced: 24 days ago - Pushed: 6 months ago - Stars: 0 - Forks: 0

NWChemEx/DeveloperTools 📦

Documentation and tools for NWChemEx developers

Language: CMake - Size: 20.6 MB - Last synced: 6 months ago - Pushed: 8 months ago - Stars: 0 - Forks: 4

NWChemEx/PythonProjectorEmbedding

Projector-based Embedding implemented in Python

Language: Python - Size: 41 KB - Last synced: 24 days ago - Pushed: 8 months ago - Stars: 1 - Forks: 0

NWChemEx/CoupledCluster

Language: C++ - Size: 180 KB - Last synced: 24 days ago - Pushed: 6 months ago - Stars: 3 - Forks: 5

NWChemEx/NWX_TA

NWChemEx - Testing and Assessment

Language: POV-Ray SDL - Size: 82.4 MB - Last synced: 24 days ago - Pushed: 7 months ago - Stars: 1 - Forks: 2

NWChemEx/libxc

Language: C - Size: 96 MB - Last synced: 24 days ago - Pushed: over 4 years ago - Stars: 1 - Forks: 1