15 projects
nwchemex-utilities
General-purpose C++ utilities for the NWChemEx ecosystem
nwchemex-pluginplay
Plugin-based software framework for the NWChemEx ecosystem
nwchemex-scf
Self-consistent field (SCF) methods for the NWChemEx ecosystem
nwchemex
A top-level, user-focused, conglomerate repo for the NWChemEx project.
nwchemex-integrals
Integral evaluation modules for the NWChemEx ecosystem
nwchemex-chemcache
Cached chemical reference data (atoms, bases, molecules) for the NWChemEx ecosystem
nwchemex-nwxcmake
Shared NWChemEx CMake modules, discoverable from Python
nwchemex-nux
NWChemEx User eXperience (NUX) driver layer for the NWChemEx ecosystem
nwchemex-simde
Simulation Domain Extensions for the NWChemEx ecosystem
nwchemex-chemist
Chemistry data structures for the NWChemEx ecosystem
nwchemex-tensorwrapper
Tensor abstraction library for the NWChemEx ecosystem
nwchemex-weaklytypedfloat
Weakly Typed Float — a DSL for type-erased floating-point types
nwchemex-parallelzone
Runtime, hardware, and MPI abstractions for the NWChemEx ecosystem
qharm-eigenbridge
Quantum eigensolver implementation using Qiskit
nwchemex-friendzone
Provides SimDE compatible APIs so that NWChemEx can play nicely with its friends.
