GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis
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FDUMP() :
utils
fetch_atomic_integrals_block() :
molecular_basis_gbl
final() :
cgto_pw_expansions_gbl
final_darray_2d() :
common_obj_gbl
final_file_mapping() :
file_mapping_gbl
final_r_f_buff() :
function_integration_gbl
FINALIZE_MPI() :
ukrmol_interface_gbl
find_mapping() :
gto_routines_gbl
fr_q() :
vnl_module
fr_q_quad() :
vnl_module
free_BTO_CGTO_Y_lm() :
bto_gto_integrals_gbl
free_scattering() :
free_scattering_gbl
from_hrr1_tgt_to_hrr2_src() :
cgto_hgp_gbl
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1.8.20