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Tags: Science and math
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1–13 of 13 · Most stars

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.

  • materials
  • science
  • materials-science
  • materials-informatics

hsolve:电磁仿真大规模非正定厄密特征值求解。Certified shift-invert eigensolver for large sparse Hermitian (indefinite, generalized) eigenproblems from EM simulation: MUMPS LDLᵀ + block Krylov-Schur + Sylvester-inertia completeness certificate.

  • computational-electromagnetics
  • cpp17
  • eigensolver
  • eigenvalues