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NWChem

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NWChem aims to provide its users with computational chemistry tools that are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters.

0 lines of code

19 current contributors

0 since last commit

6 users on Open Hub

Activity Not Available

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Mostly written in language not available

Licenses: ecl2

GPAW

Analyzed 25 days ago

GPAW is a density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE). It uses real-space uniform grids and multigrid methods or atom-centered basis-functions.

210K lines of code

26 current contributors

about 2 months since last commit

2 users on Open Hub

Very High Activity

0 Reviews

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Mostly written in Python

Licenses: gpl3_or_l...

Tags density_functional_theory dft