MPI-SCATCI
2.0
An MPI version of SCATCI
- n -
n :
basematrix_module::basematrix
,
contracted_symbolic_module::contractedsymbolicelementvector
,
matrixcache_module::matrixcache
,
symbolic_module::symbolicelementvector
name :
baseintegral_module::baseintegral
,
options_module::options
,
timing_module::time_data
nchan :
postprocessing_module::outerinterface
nciset :
solutionhandler_module::solutionhandler
nested_timers :
timing_module::timer
nfdm :
options_module::optionsset
,
postprocessing_module::outerinterface
nflg :
hamiltonian_module::basehamiltonian
ngroup :
parallelization_module::processgrid
nhd :
baseintegral_module::baseintegral
nhe :
baseintegral_module::baseintegral
nints :
csf_module::csfmanager
nnuc :
baseintegral_module::baseintegral
non_zero_prototype :
contracted_hamiltonian_module::contracted_hamiltonian
nprocs :
basempi_module::basempi
nsrb :
orbital_module::orbitaltable
nstat :
target_rmat_ci_module::target_rmat_ci
ntarg :
postprocessing_module::outerinterface
nuclear_energy :
molprocorepotential_module::molprocorepotential
num_ci_target_sym :
options_module::options
num_continuum :
options_module::options
num_continuum_orbitals_target :
options_module::options
num_csf :
ukrmol_module::ukrmolintegral
num_csfs :
csf_module::csfmanager
,
options_module::options
,
target_rmat_ci_module::target_rmat_ci
num_dtr_csf_out :
csf_module::csfmanager
,
options_module::options
num_eigenpairs :
options_module::options
,
solutionhandler_module::solutionhandler
num_electronic_orbitals_sym :
options_module::options
num_electrons :
csf_module::csfmanager
,
options_module::options
num_elements_per_record :
writermatrix_module::writermatrix
num_elems :
matrixcache_module::matrixarray
num_expanded_continuum_csf :
options_module::options
num_l2_csf :
options_module::options
num_l2_functions :
contracted_hamiltonian_module::contracted_hamiltonian
num_matrix_chunks :
matrixcache_module::matrixcache
num_matrix_elements_per_rec :
options_module::options
num_mo :
csf_module::csfmanager
num_one_electron_blocks :
alchemy_module::alchemyintegral
num_one_electron_integrals :
alchemy_module::alchemyintegral
,
sweden_module::swedenintegral
,
ukrmol_module::ukrmolintegral
num_orbitals :
baseintegral_module::baseintegral
,
csf_module::csfobject
num_orbitals_sym :
alchemy_module::alchemyintegral
,
options_module::options
,
sweden_module::swedenintegral
,
ukrmol_module::ukrmolintegral
num_orbitals_sym_dinf :
options_module::options
num_pair_idx :
alchemy_module::alchemyintegral
,
sweden_module::swedenintegral
num_positron_orbitals_sym :
options_module::options
num_pq :
alchemy_module::alchemyintegral
,
sweden_module::swedenintegral
num_rs :
alchemy_module::alchemyintegral
,
sweden_module::swedenintegral
num_so :
csf_module::csfmanager
num_states_1 :
contracted_symbolic_module::contractedsymbolicelementvector
num_states_2 :
contracted_symbolic_module::contractedsymbolicelementvector
num_symmetries :
baseintegral_module::baseintegral
,
orbital_module::orbitaltable
num_symmetry :
ukrmol_module::ukrmolintegral
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_per_symmetries :
basecorepotential_module::basecorepotential
num_target_state_sym :
options_module::options
num_target_sym :
basecorepotential_module::basecorepotential
,
options_module::options
num_two_electron_blocks :
alchemy_module::alchemyintegral
,
sweden_module::swedenintegral
num_two_electron_integrals :
alchemy_module::alchemyintegral
,
sweden_module::swedenintegral
,
ukrmol_module::ukrmolintegral
num_unique_pairs :
alchemy_module::alchemyintegral
,
sweden_module::swedenintegral
num_unused_orbitals_sym :
options_module::options
number :
sweden_module::swedenintegral
number_of_integrals :
hamiltonian_module::basehamiltonian
number_of_matrix_records :
baseintegral_module::baseintegral
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