Logo

Contents:

  • Overview and Installation Instructions
  • Theory Overview
  • Density and Orbital Features in CiderPress
  • DFT Module
  • The Models Module
  • PySCF Interface
  • GPAW Interface
  • C Extension Libraries
    • Plane-wave Utilities (pwutil)
CiderPress
  • C Extension Libraries
  • View page source

C Extension Libraries

  • Plane-wave Utilities (pwutil)
    • CIDERPW_PI
    • CIDERPW_R2C
    • CIDERPW_C2C
    • ciderpw_data
    • ciderpw_has_mpi()
    • ciderpw_allocate_buffers()
    • ciderpw_get_struct_size()
    • ciderpw_nullify()
    • ciderpw_finalize()
    • ciderpw_set_unit_cell()
    • ciderpw_new_anyspin()
    • ciderpw_create()
    • ciderpw_setup_kernel()
    • ciderpw_get_bound_inds()
    • ciderpw_get_recip_size()
    • ciderpw_get_real_size()
    • ciderpw_get_work_size()
    • ciderpw_get_work_pointer()
    • ciderpw_get_local_size_and_lda()
    • ciderpw_compute_kernels_helper()
    • ciderpw_compute_kernels_sym_helper()
    • ciderpw_compute_kernels()
    • ciderpw_compute_kernels_sym()
    • ciderpw_compute_kernels_t()
    • ciderpw_multiply_l1()
    • ciderpw_convolution_fwd()
    • ciderpw_convolution_bwd()
    • ciderpw_compute_features()
    • ciderpw_compute_potential()
    • ciderpw_eval_feature_vj()
    • ciderpw_add_potential_vj()
    • ciderpw_set_work()
    • ciderpw_zero_work()
    • ciderpw_fill_atom_info()
    • ciderpw_add_atom_info()
    • ciderpw_set_atom_info()
    • ciderpw_copy_work_array_recip()
    • ciderpw_copy_work_array_real()
    • ciderpw_copy_work_array()
    • ciderpw_unit_cell
      • vec
      • Nglobal
      • Nlocal
      • offset
      • dV
    • ciderpw_kernel
      • kernel_type
      • nalpha
      • nbeta
      • work_size
      • expnts_ba
      • norms_ba
      • expnts_ab
      • norms_ab
      • num_l1_feats
    • ciderpw_data_obj
      • initialized
      • nspin
      • cell
      • icell
      • kernel
      • fft_type
      • mpi_rank
      • mpi_size
      • Ng
      • Nglobal
      • kLDA
      • gLDA
      • work_ska
      • plan_g2k
      • plan_k2g
      • nk
      • k2_G
      • kx_G
      • ky_G
      • kz_G
      • wt_G
      • work_array_size
      • errorcode
Previous Next

© Copyright 2025, Kyle Bystrom.

Built with Sphinx using a theme provided by Read the Docs.