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matrixlabiisc

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  1. DFTFE_ASE_socket_interface_merge_matrixLabFork DFTFE_ASE_socket_interface_merge_matrixLabFork Public

    Public fork of the socket_interface_merge branch of DFT-FE. Currently undergoing PR review (link of PR attached to people who have access)

    C++ 4

  2. LWGNNCSP LWGNNCSP Public

    Python 1 2

  3. FEMatFreeMultiVec FEMatFreeMultiVec Public

    Hardware-aware matrixfree algorithm to perform fast sequential tensor contractions arising in Laplace and Helmholtz operators (JPDC)

    C++ 1

  4. AppliedPotentialBias_JCTC AppliedPotentialBias_JCTC Public

    Input and output files of various results published in the paper

    C++ 1

  5. MatrixFreeKSDFTCPU MatrixFreeKSDFTCPU Public

    Hardware-aware matrixfree algorithm for Kohn-Sham DFT (CPC)

    C++ 1

  6. pawfecpu pawfecpu Public

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