Ecosyste.ms: Packages

An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.

conda-forge.org "tight-binding" keyword

dftbplus-tools 20.2.1

DFTB+ general package for performing fast atomistic simulations
6 versions - Latest release: over 3 years ago - 253 stars on GitHub

dftbplus 20.2.1

DFTB+ general package for performing fast atomistic simulations
6 versions - Latest release: over 3 years ago - 2 dependent packages - 252 stars on GitHub

dftbplus-python 20.2.1

DFTB+ general package for performing fast atomistic simulations
6 versions - Latest release: over 3 years ago - 253 stars on GitHub

pybinding 0.9.5

Scientific Python package for tight-binding calculations in solid state physics
7 versions - Latest release: over 3 years ago - 164 stars on GitHub

xtb 6.5.1

Semiempirical Extended Tight-Binding Program Package
9 versions - Latest release: almost 2 years ago - 4 dependent packages - 10 dependent repositories - 397 stars on GitHub

sktools 0.1

Basic programs for generating Slater-Koster files for the DFTB-method
1 version - Latest release: almost 2 years ago - 16 stars on GitHub

tblite 0.2.1

Light-weight tight-binding framework
3 versions - Latest release: about 2 years ago - 3 dependent packages - 36 stars on GitHub

tblite-python 0.2.1

Light-weight tight-binding framework
1 version - Latest release: almost 2 years ago - 36 stars on GitHub

sisl 0.12.2 💰

sisl is a tool to manipulate density functional theory code input and/or output. It also implemen...
11 versions - Latest release: about 2 years ago - 1 dependent package - 1 dependent repositories - 136 stars on GitHub

xtb-python 20.2

Python API for the extended tight binding program package
2 versions - Latest release: about 2 years ago - 1 dependent package - 9 dependent repositories - 80 stars on GitHub

Related Keywords

density-functional-theory 5 quantum-mechanics 5 atomistic-simulations 4 dftb 4 quantum-chemistry 4 computational-chemistry 2 solid-state-physics 2 condensed-matter 2 vasp 1 transiesta 1 wannier90 1 tbtrans 1 solid-state 1 siesta 1 physics 1 negf 1 gulp 1 graphene 1 geometry 1 dft 1 bigdft 1 slater-koster 1 force-field 1 scientific-computing 1 band-structure 1