MPI-SCATCI
2.0
An MPI version of SCATCI
- d -
davidson_diag :
consts_mpi_ci
default_archer_memory :
consts_mpi_ci
default_expand_size :
consts_mpi_ci
default_integral_threshold :
consts_mpi_ci
default_matelem_threshold :
consts_mpi_ci
dense_diag :
consts_mpi_ci
diagonalize :
consts_mpi_ci
diagonalize_no_restart :
consts_mpi_ci
do_ci_target_contract :
consts_mpi_ci
- e -
ecp_type_molpro :
consts_mpi_ci
ecp_type_null :
consts_mpi_ci
elpaint :
elpadiagonalizer_module
- g -
generate_target_wf :
consts_mpi_ci
- i -
iterative_diag :
consts_mpi_ci
- m -
main_hamiltonian :
consts_mpi_ci
master_memory :
memorymanager_module
master_timer :
timing_module
mat_dense :
consts_mpi_ci
mat_sparse :
consts_mpi_ci
matrix_evaluate_diff :
consts_mpi_ci
matrix_evaluate_full :
consts_mpi_ci
matrix_index_c :
consts_mpi_ci
matrix_index_fortran :
consts_mpi_ci
matrix_order_ij :
consts_mpi_ci
matrix_order_ji :
consts_mpi_ci
max_molpro_energies :
molprocorepotential_module
max_neig :
consts_mpi_ci
memory_man :
basemanager_module
molpro_energy_line :
molprocorepotential_module
molpro_nuclear :
molprocorepotential_module
molpro_rhf_energy_line :
molprocorepotential_module
mxint :
consts_mpi_ci
- n -
name_len :
timing_module
name_len_max :
consts_mpi_ci
neglect_continuum :
consts_mpi_ci
no_ci_target :
consts_mpi_ci
no_diagonalization :
consts_mpi_ci
no_pure_target_integral :
consts_mpi_ci
no_pure_target_integral_diff :
consts_mpi_ci
normal_csf :
consts_mpi_ci
normal_phase :
consts_mpi_ci
- p -
pass_to_cdenprop :
consts_mpi_ci
process_grid :
parallelization_module
prototype_csf :
consts_mpi_ci
- r -
rmt_int :
postprocessing_module
rmt_real :
postprocessing_module
- s -
save_all_coeffs :
consts_mpi_ci
save_continuum_coeffs :
consts_mpi_ci
save_l2_coeffs :
consts_mpi_ci
scatci_decide :
consts_mpi_ci
slepc_max_eigenvalues :
consts_mpi_ci
symtype_cinfv :
consts_mpi_ci
symtype_d2h :
consts_mpi_ci
symtype_dinfh :
consts_mpi_ci
- t -
target_hamiltonian :
consts_mpi_ci
timer_default_size :
timing_module
to_be_synched :
contracted_symbolic_module
Generated on Thu Nov 26 2020 16:37:08 for MPI-SCATCI by
1.8.20