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mp2_types::mp2_type Type Reference

Data Fields

integer method = mp2_method_none
type(mp2_laplace_type) ri_laplace = mp2_laplace_type()
type(mp2_direct_type) direct_canonical = mp2_direct_type()
type(libint_potential_type) potential_parameter = libint_potential_type()
type(mp2_gpw_type) mp2_gpw = mp2_gpw_type()
type(ri_mp2_type) ri_mp2 = ri_mp2_type()
type(ri_rpa_type) ri_rpa = ri_rpa_type()
type(ri_rpa_im_time_type) ri_rpa_im_time = ri_rpa_im_time_type()
type(ri_g0w0_type) ri_g0w0 = ri_g0w0_type()
type(ri_basis_opt) ri_opt_param = ri_basis_opt()
type(grad_util) ri_grad = grad_util()
type(bse_env_type) bse = bse_env_type()
real(kind=dp) mp2_memory = 0.0_dp
real(kind=dp) scale_s = 0.0_dp
real(kind=dp) scale_t = 0.0_dp
integer mp2_num_proc = 0
integer block_size_row = 0
integer block_size_col = 0
logical calc_pq_cond_num = .FALSE.
logical hf_fail = .FALSE.
logical p_screen = .FALSE.
logical not_last_hfx = .FALSE.
logical do_im_time = .FALSE.
integer eri_method = eri_default
type(cp_eri_mme_param), pointer eri_mme_param => NULL()
integer, dimension(:), pointer eri_blksize => NULL()
logical do_svd = .FALSE.
real(kind=dp) eps_svd = -1.0_dp
real(kind=dp) eps_range = 0.0_dp
type(libint_potential_type) ri_metric = libint_potential_type()
type(local_gemm_ctxt_type) local_gemm_ctx = local_gemm_ctxt_type()
real(dp) e_gap = 0.0_dp
real(dp) e_range = 0.0_dp
logical ri_aux_auto_generated = .FALSE.

Detailed Description

Definition at line 309 of file mp2_types.F.

Field Documentation

◆ method

integer mp2_types::mp2_type::method = mp2_method_none

Definition at line 310 of file mp2_types.F.

◆ ri_laplace

type(mp2_laplace_type) mp2_types::mp2_type::ri_laplace = mp2_laplace_type()

Definition at line 311 of file mp2_types.F.

◆ direct_canonical

type(mp2_direct_type) mp2_types::mp2_type::direct_canonical = mp2_direct_type()

Definition at line 312 of file mp2_types.F.

◆ potential_parameter

type(libint_potential_type) mp2_types::mp2_type::potential_parameter = libint_potential_type()

Definition at line 313 of file mp2_types.F.

◆ mp2_gpw

type(mp2_gpw_type) mp2_types::mp2_type::mp2_gpw = mp2_gpw_type()

Definition at line 314 of file mp2_types.F.

◆ ri_mp2

type(ri_mp2_type) mp2_types::mp2_type::ri_mp2 = ri_mp2_type()

Definition at line 315 of file mp2_types.F.

◆ ri_rpa

type(ri_rpa_type) mp2_types::mp2_type::ri_rpa = ri_rpa_type()

Definition at line 316 of file mp2_types.F.

◆ ri_rpa_im_time

type(ri_rpa_im_time_type) mp2_types::mp2_type::ri_rpa_im_time = ri_rpa_im_time_type()

Definition at line 359 of file mp2_types.F.

◆ ri_g0w0

type(ri_g0w0_type) mp2_types::mp2_type::ri_g0w0 = ri_g0w0_type()

Definition at line 360 of file mp2_types.F.

◆ ri_opt_param

type(ri_basis_opt) mp2_types::mp2_type::ri_opt_param = ri_basis_opt()

Definition at line 361 of file mp2_types.F.

◆ ri_grad

type(grad_util) mp2_types::mp2_type::ri_grad = grad_util()

Definition at line 362 of file mp2_types.F.

◆ bse

type(bse_env_type) mp2_types::mp2_type::bse = bse_env_type()

Definition at line 363 of file mp2_types.F.

◆ mp2_memory

real(kind=dp) mp2_types::mp2_type::mp2_memory = 0.0_dp

Definition at line 365 of file mp2_types.F.

◆ scale_s

real(kind=dp) mp2_types::mp2_type::scale_s = 0.0_dp

Definition at line 365 of file mp2_types.F.

◆ scale_t

real(kind=dp) mp2_types::mp2_type::scale_t = 0.0_dp

Definition at line 365 of file mp2_types.F.

◆ mp2_num_proc

integer mp2_types::mp2_type::mp2_num_proc = 0

Definition at line 368 of file mp2_types.F.

◆ block_size_row

integer mp2_types::mp2_type::block_size_row = 0

Definition at line 369 of file mp2_types.F.

◆ block_size_col

integer mp2_types::mp2_type::block_size_col = 0

Definition at line 370 of file mp2_types.F.

◆ calc_pq_cond_num

logical mp2_types::mp2_type::calc_pq_cond_num = .FALSE.

Definition at line 371 of file mp2_types.F.

◆ hf_fail

logical mp2_types::mp2_type::hf_fail = .FALSE.

Definition at line 372 of file mp2_types.F.

◆ p_screen

logical mp2_types::mp2_type::p_screen = .FALSE.

Definition at line 373 of file mp2_types.F.

◆ not_last_hfx

logical mp2_types::mp2_type::not_last_hfx = .FALSE.

Definition at line 374 of file mp2_types.F.

◆ do_im_time

logical mp2_types::mp2_type::do_im_time = .FALSE.

Definition at line 375 of file mp2_types.F.

◆ eri_method

integer mp2_types::mp2_type::eri_method = eri_default

Definition at line 376 of file mp2_types.F.

◆ eri_mme_param

type(cp_eri_mme_param), pointer mp2_types::mp2_type::eri_mme_param => NULL()

Definition at line 377 of file mp2_types.F.

◆ eri_blksize

integer, dimension(:), pointer mp2_types::mp2_type::eri_blksize => NULL()

Definition at line 378 of file mp2_types.F.

◆ do_svd

logical mp2_types::mp2_type::do_svd = .FALSE.

Definition at line 379 of file mp2_types.F.

◆ eps_svd

real(kind=dp) mp2_types::mp2_type::eps_svd = -1.0_dp

Definition at line 380 of file mp2_types.F.

◆ eps_range

real(kind=dp) mp2_types::mp2_type::eps_range = 0.0_dp

Definition at line 381 of file mp2_types.F.

◆ ri_metric

type(libint_potential_type) mp2_types::mp2_type::ri_metric = libint_potential_type()

Definition at line 382 of file mp2_types.F.

◆ local_gemm_ctx

type(local_gemm_ctxt_type) mp2_types::mp2_type::local_gemm_ctx = local_gemm_ctxt_type()

Definition at line 383 of file mp2_types.F.

◆ e_gap

real(dp) mp2_types::mp2_type::e_gap = 0.0_dp

Definition at line 384 of file mp2_types.F.

◆ e_range

real(dp) mp2_types::mp2_type::e_range = 0.0_dp

Definition at line 384 of file mp2_types.F.

◆ ri_aux_auto_generated

logical mp2_types::mp2_type::ri_aux_auto_generated = .FALSE.

Definition at line 386 of file mp2_types.F.

The documentation for this type was generated from the following file: