/tools/grasp

grasp

compas/grasp

83 stars33 forksFortranWebsiteAdded February 8, 2026
summary

GRASP is a Fortran-based software package designed for general relativistic atomic structure calculations. It allows researchers to perform detailed electron structure analyses, which are essential for understanding molecular properties and behaviors.

description

General Relativistic Atomic Structure Package

topics

atomic-physicsdiracelectron-correlationhartree-fockquantum-chemistryrelativistic-physicsfortran

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