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SIRIUS

Description

Domain specific library for electronic structure calculations.

Metadata

Version

7.5.2

License

BSD-2-Clause

Status

BrokenNo
InsecureNo
UnfreeNo
UnsupportedNo

Source

pkgs/by-name/si/sirius/package.nix:126

Homepage

https://github.com/electronic-structure/SIRIUS

Maintainers (1)

Executables (73)

Show all
  • bin/atom
  • bin/hydrogen
  • bin/read_atom
  • bin/test_allgather
  • bin/test_alloc
  • bin/test_any_ptr
  • bin/test_atomic_orbital_index
  • bin/test_bcast_v2
  • bin/test_bessel
  • bin/test_blacs
  • bin/test_cmd_args
  • bin/test_comm_split
  • bin/test_davidson
  • bin/test_eigen
  • bin/test_enu
  • bin/test_examples
  • bin/test_exc_vxc
  • bin/test_fft_correctness_1
  • bin/test_fft_correctness_2
  • bin/test_fft_real_2
  • bin/test_fft_real_3
  • bin/test_fortran_api
  • bin/test_fp
  • bin/test_gaunt_coeff_1
  • bin/test_gaunt_coeff_2
  • bin/test_gemm
  • bin/test_gemm2
  • bin/test_geom3d
  • bin/test_gvec
  • bin/test_hdf5
  • bin/test_hloc
  • bin/test_init
  • bin/test_init_ctx
  • bin/test_lapw_xc
  • bin/test_linalg
  • bin/test_lr_solver
  • bin/test_mdarray
  • bin/test_mem_alloc
  • bin/test_mem_pool
  • bin/test_memop
  • bin/test_mempool
  • bin/test_mixer
  • bin/test_mpi_grid
  • bin/test_nan
  • bin/test_p2p_cyclic
  • bin/test_phase
  • bin/test_potrf
  • bin/test_pppw_xc
  • bin/test_radial_solver
  • bin/test_reduce
  • bin/test_rlm
  • bin/test_rlm_deriv
  • bin/test_rot_ylm
  • bin/test_roundoff
  • bin/test_serialize
  • bin/test_sht
  • bin/test_sht_lapl
  • bin/test_sim_ctx
  • bin/test_sinx_cosx
  • bin/test_spheric_function
  • bin/test_splindex
  • bin/test_spline
  • bin/test_srvo3_pwpp
  • bin/test_sym
  • bin/test_wf_fft
  • bin/test_wf_inner
  • bin/test_wf_ortho
  • bin/test_wf_ortho_1
  • bin/test_wf_trans
  • bin/test_xc
  • bin/test_ylm
  • bin/unit_cell_tools
  • bin/upf_to_json

Platforms (21)

    Linux
Show all
  • aarch64-linux
  • armv5tel-linux
  • armv6l-linux
  • armv7a-linux
  • armv7l-linux
  • i686-linux
  • loongarch64-linux
  • m68k-linux
  • microblaze-linux
  • microblazeel-linux
  • mips-linux
  • mips64-linux
  • mips64el-linux
  • mipsel-linux
  • powerpc64-linux
  • powerpc64le-linux
  • riscv32-linux
  • riscv64-linux
  • s390-linux
  • s390x-linux
  • x86_64-linux