API reference

• msmjax.core
  • msmjax.core.shortrange
    • _gen_supercell()
    • _generalized_diagonal_mask()
    • _displacement_free()
    • _displacement_ortho()
    • _displacement_general()
    • _concretize_displacement_fn()
    • make_eval_pair_pot()
    • make_eval_pair_pot_neighborlist()
    • make_compute_u_zero()
  • msmjax.core.longrange
    • _anterpolate()
    • _interpolate_energy()
    • _interpolate_energy_positions_gradient()
    • _interpolate_energy_charge_gradient()
    • special_periodic_convolve_scipy()
    • make_grid_pass_fn()
    • make_compute_u_oneplus()
• msmjax.kernels
  • SoftenerOneOverR
  • split_one_over_r()
  • _get_distances()
  • _compute_one_stencil()
  • make_construct_stencils()