Home
last modified time | relevance | path

Searched refs:do_mulliken_atomic_charges (Results 1 – 4 of 4) sorted by relevance

/dports/science/ergo/ergo-3.8/source/scf/
H A Dscf_utils.h222 do_mulliken_atomic_charges(const symmMatrix & densityMatrix,
H A DSCF_unrestricted.cc1234 do_mulliken_atomic_charges(densityMatrix_tot, in do_mulliken_pop_stuff()
H A DSCF_restricted.cc1188 do_mulliken_atomic_charges(densityMatrix, in do_mulliken_pop_stuff()
H A Dscf_utils.cc2296 do_mulliken_atomic_charges(const symmMatrix & densityMatrix, in do_mulliken_atomic_charges() function