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Searched refs:dim_geo_nuc (Results 1 – 6 of 6) sorted by relevance

/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/src/ecp/
H A Dcontr_cgto_ecp_local.F90158 …integer dim_geo_nuc !dimension of geometric derivatives on operator centers before scatter… local
227 dim_geo_nuc = (order_part_cent(3)+1)*(order_part_cent(3)+2)/2
230 dim_geo_nuc,num_elec), stat=ierr)
255 dim_cints, dim_geo_bra, dim_geo_ket, dim_geo_nuc, &
H A Dcontr_cgto_ecp_non.F90158 …integer dim_geo_nuc !dimension of geometric derivatives on operator centers before scatter… local
227 dim_geo_nuc = (order_part_cent(3)+1)*(order_part_cent(3)+2)/2
230 dim_geo_nuc,num_elec), stat=ierr)
255 dim_cints, dim_geo_bra, dim_geo_ket, dim_geo_nuc, &
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/src/isdpot/
H A Dcontr_cgto_isdpot.F90158 …integer dim_geo_nuc !dimension of geometric derivatives on operator centers before scatter… local
227 dim_geo_nuc = (order_part_cent(3)+1)*(order_part_cent(3)+2)/2
230 dim_geo_nuc,num_elec), stat=ierr)
255 dim_cints, dim_geo_bra, dim_geo_ket, dim_geo_nuc, &
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/src/mcp1/
H A Dcontr_cgto_mcp1_core.F90158 …integer dim_geo_nuc !dimension of geometric derivatives on operator centers before scatter… local
227 dim_geo_nuc = (order_part_cent(3)+1)*(order_part_cent(3)+2)/2
230 dim_geo_nuc,num_elec), stat=ierr)
255 dim_cints, dim_geo_bra, dim_geo_ket, dim_geo_nuc, &
H A Dcontr_cgto_mcp1_pot.F90158 …integer dim_geo_nuc !dimension of geometric derivatives on operator centers before scatter… local
227 dim_geo_nuc = (order_part_cent(3)+1)*(order_part_cent(3)+2)/2
230 dim_geo_nuc,num_elec), stat=ierr)
255 dim_cints, dim_geo_bra, dim_geo_ket, dim_geo_nuc, &
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/src/dso/
H A Dcontr_cgto_dso.F90158 …integer dim_geo_nuc !dimension of geometric derivatives on operator centers before scatter… local
227 dim_geo_nuc = (order_part_cent(3)+1)*(order_part_cent(3)+2)/2
230 dim_geo_nuc,num_elec), stat=ierr)
255 dim_cints, dim_geo_bra, dim_geo_ket, dim_geo_nuc, &