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Solves the Kohn-Sham equation as a generalized eigenvalue problem for a fixed Hamiltonian. It implements the orbital minimization method (OMM), which works within a density matrix formalism.

copied from cf-staging / libomm
Type Size Name Uploaded Downloads Labels
conda 134.4 kB | linux-aarch64/libomm-1.0.0-mpi_mpich_h478e2f9_2.tar.bz2  3 years and 9 months ago 173 main
conda 121.8 kB | linux-aarch64/libomm-1.0.0-nompi_h7c86739_102.tar.bz2  3 years and 9 months ago 69 main
conda 134.5 kB | linux-aarch64/libomm-1.0.0-mpi_openmpi_h152c2b8_2.tar.bz2  3 years and 9 months ago 179 main
conda 131.2 kB | linux-ppc64le/libomm-1.0.0-nompi_hd6921e4_102.tar.bz2  3 years and 9 months ago 41 main
conda 103.9 kB | osx-64/libomm-1.0.0-mpi_mpich_h024acc1_2.tar.bz2  3 years and 9 months ago 243 main
conda 144.5 kB | linux-ppc64le/libomm-1.0.0-mpi_openmpi_h11bec1d_2.tar.bz2  3 years and 9 months ago 141 main
conda 95.9 kB | osx-64/libomm-1.0.0-nompi_hb4ab1d8_102.tar.bz2  3 years and 9 months ago 84 main
conda 144.5 kB | linux-ppc64le/libomm-1.0.0-mpi_mpich_hb27407b_2.tar.bz2  3 years and 9 months ago 134 main
conda 103.9 kB | osx-64/libomm-1.0.0-mpi_openmpi_h1a97a04_2.tar.bz2  3 years and 9 months ago 247 main
conda 147.4 kB | linux-64/libomm-1.0.0-nompi_heef902a_102.tar.bz2  3 years and 9 months ago 2696 main
conda 159.9 kB | linux-64/libomm-1.0.0-mpi_mpich_h6ba1590_2.tar.bz2  3 years and 9 months ago 3785 main
conda 160.3 kB | linux-64/libomm-1.0.0-mpi_openmpi_hbbb7b4b_2.tar.bz2  3 years and 9 months ago 4414 main
conda 144.5 kB | linux-ppc64le/libomm-1.0.0-mpi_mpich_hb27407b_1.tar.bz2  3 years and 10 months ago 64 main
conda 144.5 kB | linux-ppc64le/libomm-1.0.0-mpi_openmpi_h11bec1d_1.tar.bz2  3 years and 10 months ago 67 main
conda 134.3 kB | linux-aarch64/libomm-1.0.0-mpi_openmpi_h152c2b8_1.tar.bz2  3 years and 10 months ago 104 main
conda 134.3 kB | linux-aarch64/libomm-1.0.0-mpi_mpich_h478e2f9_1.tar.bz2  3 years and 10 months ago 106 main
conda 121.8 kB | linux-aarch64/libomm-1.0.0-nompi_h7c86739_101.tar.bz2  3 years and 10 months ago 75 main
conda 131.0 kB | linux-ppc64le/libomm-1.0.0-nompi_hd6921e4_101.tar.bz2  3 years and 10 months ago 44 main
conda 103.9 kB | osx-64/libomm-1.0.0-mpi_mpich_h024acc1_1.tar.bz2  3 years and 11 months ago 126 main
conda 104.0 kB | osx-64/libomm-1.0.0-mpi_openmpi_h1a97a04_1.tar.bz2  3 years and 11 months ago 134 main
conda 95.9 kB | osx-64/libomm-1.0.0-nompi_hb4ab1d8_101.tar.bz2  3 years and 11 months ago 87 main
conda 160.3 kB | linux-64/libomm-1.0.0-mpi_mpich_h6ba1590_1.tar.bz2  3 years and 11 months ago 2744 main
conda 147.3 kB | linux-64/libomm-1.0.0-nompi_heef902a_101.tar.bz2  3 years and 11 months ago 2640 main
conda 159.9 kB | linux-64/libomm-1.0.0-mpi_openmpi_hbbb7b4b_1.tar.bz2  3 years and 11 months ago 2770 main
conda 89.3 kB | osx-64/libomm-1.0.0-nompi_hb4ab1d8_100.tar.bz2  3 years and 11 months ago 80 main

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