High-Performance configuration patterns and recipes.
package-manager build recipe intel libint compile libxc quantum-espresso configure cp2k elpa hpc-applications libxsmm
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Dec 19, 2025 - Shell
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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
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Mar 24, 2025 - C++
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