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libint

Here are 2 public repositories matching this topic...

hfp / xconfigure

High-Performance configuration patterns and recipes.

package-manager build recipe intel libint compile libxc quantum-espresso configure cp2k elpa hpc-applications libxsmm

Updated Nov 22, 2024
Shell

alejandrogallo / sisi4s

Massively parallel electronic structure code for experimentation

libint vasp nwchem quantum-chemistry ctf tensor-algebra mp2 hartree-fock einstein-notation turbomole rpa ccsd coupled-cluster ccsdt eomcc

Updated May 15, 2024
C++

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