MPI-SCATCI
2.0
An MPI version of SCATCI
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Options_module::Options Member List
This is the complete list of members for
Options_module::Options
, including all inherited members.
actual_num_csfs
Options_module::Options
all_ecp_defined
Options_module::Options
arrange_phase
(this, temp_phase)
Options_module::Options
private
check_sanity_complete
(this)
Options_module::Options
private
check_sanity_congen_header
(this)
Options_module::Options
private
ci_output_unit
Options_module::Options
ci_phase
Options_module::Options
ci_sequence_number
Options_module::Options
ci_set_number
Options_module::Options
ci_target_flag
Options_module::Options
ci_target_switch
Options_module::Options
compute_expansions
(this)
Options_module::Options
private
compute_variables
(this)
Options_module::Options
private
continuum_block_size
Options_module::Options
contracted_mat_size
Options_module::Options
csf_type
Options_module::Options
diag_name
Options_module::Options
diagonalization_flag
Options_module::Options
diagonalizer_choice
Options_module::Options
do_ci_contraction
(this)
Options_module::Options
ecp_filename
Options_module::Options
ecp_type
Options_module::Options
eigenvec_conv
Options_module::Options
energy_shifts
Options_module::Options
enh_factor
Options_module::Options
enh_factor_type
Options_module::Options
exchange_flag
Options_module::Options
exclude_rowcolumn
Options_module::Options
exotic_mass
Options_module::Options
following_writer
Options_module::Options
force_serial
Options_module::Options
gerade_sym_continuum_orbital_target
Options_module::Options
hamiltonian_unit
Options_module::Options
integral_ordering
Options_module::Options
integral_unit
Options_module::Options
lambda
Options_module::Options
lambda_continuum_orbitals_target
Options_module::Options
last_continuum
Options_module::Options
length_coeff
Options_module::Options
length_dtrs
Options_module::Options
matrix_eval
Options_module::Options
max_iterations
Options_module::Options
max_tolerance
Options_module::Options
maximum_num_target_states
Options_module::Options
megul
Options_module::Options
multiplicity_defined
Options_module::Options
name
Options_module::Options
num_ci_target_sym
Options_module::Options
num_continuum
Options_module::Options
num_continuum_orbitals_target
Options_module::Options
num_csfs
Options_module::Options
num_dtr_csf_out
Options_module::Options
num_eigenpairs
Options_module::Options
num_electronic_orbitals_sym
Options_module::Options
num_electrons
Options_module::Options
num_expanded_continuum_csf
Options_module::Options
num_l2_csf
Options_module::Options
num_matrix_elements_per_rec
Options_module::Options
num_orbitals_sym
Options_module::Options
num_orbitals_sym_dinf
Options_module::Options
num_positron_orbitals_sym
Options_module::Options
num_syms
Options_module::Options
num_target_orbitals_sym
Options_module::Options
num_target_orbitals_sym_congen
Options_module::Options
num_target_orbitals_sym_dinf_congen
Options_module::Options
num_target_state_sym
Options_module::Options
num_target_sym
Options_module::Options
num_unused_orbitals_sym
Options_module::Options
orbital_sequence_number
Options_module::Options
orthog_trigger
Options_module::Options
output_ci_set_number
Options_module::Options
output_flag
Options_module::Options
phase_correction_flag
Options_module::Options
phase_index
Options_module::Options
pin
Options_module::Options
positron_flag
Options_module::Options
preceding_writer
Options_module::Options
print_dataset_heading
Options_module::Options
print_flags
Options_module::Options
quantamoln
Options_module::Options
read
(this)
Options_module::Options
read_congen
(this)
Options_module::Options
private
reference_dtrs
Options_module::Options
refl_quanta
Options_module::Options
residual_conv
Options_module::Options
seq_num_last_continuum_csf
Options_module::Options
spatial_defined
Options_module::Options
spin
Options_module::Options
spin_z
Options_module::Options
sym_group_flag
Options_module::Options
target_multiplicity
Options_module::Options
target_spatial
Options_module::Options
temp_orbs
Options_module::Options
threshold
Options_module::Options
tot_num_orbitals
Options_module::Options
tot_num_spin_orbitals
Options_module::Options
total_memory
Options_module::Options
total_num_ci_target
Options_module::Options
total_num_target_states
Options_module::Options
total_num_tgt_states
Options_module::Options
use_scf
Options_module::Options
use_ukrmol_integrals
Options_module::Options
vector_storage_method
Options_module::Options
verbosity
Options_module::Options
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for MPI-SCATCI by
1.14.0