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gateway.mw
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@function [ao] = GTOval_sph_mwrap_mex( ngrids, shls_slice, ao_loc, ao, coord, non0table, atm, natm, bas, nbas, env)
naoloc = shls_slice(2) - shls_slice(1) + 1;
nao = ao_loc(shls_slice(2)+1) - ao_loc(shls_slice(1)+1);
ntmpao = ngrids*nao;
ndim = 3;
nnon0tab = numel(non0table);
ATM_SLOTS = 6;
BAS_SLOTS = 8;
ntmpatm = natm*ATM_SLOTS;
ntmpbas = nbas*BAS_SLOTS;
nenv = numel(env);
# GTOval_sph_mwrap(int[1] ngrids, int[2] shls_slice, int[naoloc] ao_loc, inout double[ntmpao] ao, double[ndim] coord, int[nnon0tab] non0table, int[ntmpatm] atm, int[1] natm, int[ntmpbas] bas, int[1] nbas, double[nenv] env);
end
@function [ao] = GTOval_h2o_ccpvtz_mwrap_mex( ngrids, shls_slice, ao_loc, ao, coord, non0table, atm, natm, bas, nbas, env)
naoloc = shls_slice(2) - shls_slice(1) + 1;
nao = ao_loc(shls_slice(2)+1) - ao_loc(shls_slice(1)+1);
ntmpao = ngrids*nao;
ndim = 3;
nnon0tab = numel(non0table);
ATM_SLOTS = 6;
BAS_SLOTS = 8;
ntmpatm = natm*ATM_SLOTS;
ntmpbas = nbas*BAS_SLOTS;
nenv = numel(env);
# GTOval_h2o_ccpvtz_mwrap(int[1] ngrids, int[2] shls_slice, int[naoloc] ao_loc, inout double[ntmpao] ao, double[ndim] coord, int[nnon0tab] non0table, int[ntmpatm] atm, int[1] natm, int[ntmpbas] bas, int[1] nbas, double[nenv] env);
end
@function [ao] = GTOval_nh3_dimer_ccpvdz_mwrap_mex( ngrids, shls_slice, ao_loc, ao, coord, non0table, atm, natm, bas, nbas, env)
naoloc = shls_slice(2) - shls_slice(1) + 1;
nao = ao_loc(shls_slice(2)+1) - ao_loc(shls_slice(1)+1);
ntmpao = ngrids*nao;
ndim = 3;
ndimngrids = numel(coord);
nnon0tab = numel(non0table);
ATM_SLOTS = 6;
BAS_SLOTS = 8;
ntmpatm = natm*ATM_SLOTS;
ntmpbas = nbas*BAS_SLOTS;
nenv = numel(env);
# GTOval_nh3_dimer_ccpvdz_mwrap(int[1] ngrids, int[2] shls_slice, int[naoloc] ao_loc, inout double[ntmpao] ao, double[ndimngrids] coord, int[nnon0tab] non0table, int[ntmpatm] atm, int[1] natm, int[ntmpbas] bas, int[1] nbas, double[nenv] env);
end
@function [ao] = GTOval_nh3_dimer_aug_ccpvdz_mwrap_mex( ngrids, shls_slice, ao_loc, ao, coord, non0table, atm, natm, bas, nbas, env)
naoloc = shls_slice(2) - shls_slice(1) + 1;
nao = ao_loc(shls_slice(2)+1) - ao_loc(shls_slice(1)+1);
ntmpao = ngrids*nao;
ndim = 3;
ndimngrids = numel(coord);
nnon0tab = numel(non0table);
ATM_SLOTS = 6;
BAS_SLOTS = 8;
ntmpatm = natm*ATM_SLOTS;
ntmpbas = nbas*BAS_SLOTS;
nenv = numel(env);
# GTOval_nh3_dimer_aug_ccpvdz_mwrap(int[1] ngrids, int[2] shls_slice, int[naoloc] ao_loc, inout double[ntmpao] ao, double[ndimngrids] coord, int[nnon0tab] non0table, int[ntmpatm] atm, int[1] natm, int[ntmpbas] bas, int[1] nbas, double[nenv] env);
end
@function [ao] = GTOval_h2o_dimer_ccpvdz_mwrap_mex( ngrids, shls_slice, ao_loc, ao, coord, non0table, atm, natm, bas, nbas, env)
naoloc = shls_slice(2) - shls_slice(1) + 1;
nao = ao_loc(shls_slice(2)+1) - ao_loc(shls_slice(1)+1);
ntmpao = ngrids*nao;
ndim = 3;
ndimngrids = numel(coord);
nnon0tab = numel(non0table);
ATM_SLOTS = 6;
BAS_SLOTS = 8;
ntmpatm = natm*ATM_SLOTS;
ntmpbas = nbas*BAS_SLOTS;
nenv = numel(env);
# GTOval_h2o_dimer_ccpvdz_mwrap(int[1] ngrids, int[2] shls_slice, int[naoloc] ao_loc, inout double[ntmpao] ao, double[ndimngrids] coord, int[nnon0tab] non0table, int[ntmpatm] atm, int[1] natm, int[ntmpbas] bas, int[1] nbas, double[nenv] env);
end
@function [ao] = GTOval_h2o_dimer_aug_ccpvdz_mwrap_mex( ngrids, shls_slice, ao_loc, ao, coord, non0table, atm, natm, bas, nbas, env)
naoloc = shls_slice(2) - shls_slice(1) + 1;
nao = ao_loc(shls_slice(2)+1) - ao_loc(shls_slice(1)+1);
ntmpao = ngrids*nao;
ndim = 3;
ndimngrids = numel(coord);
nnon0tab = numel(non0table);
ATM_SLOTS = 6;
BAS_SLOTS = 8;
ntmpatm = natm*ATM_SLOTS;
ntmpbas = nbas*BAS_SLOTS;
nenv = numel(env);
# GTOval_h2o_dimer_aug_ccpvdz_mwrap(int[1] ngrids, int[2] shls_slice, int[naoloc] ao_loc, inout double[ntmpao] ao, double[ndimngrids] coord, int[nnon0tab] non0table, int[ntmpatm] atm, int[1] natm, int[ntmpbas] bas, int[1] nbas, double[nenv] env);
end
@function [ao] = GTOval_uracil_dimer_ccpvdz_mwrap_mex( ngrids, shls_slice, ao_loc, ao, coord, non0table, atm, natm, bas, nbas, env)
naoloc = shls_slice(2) - shls_slice(1) + 1;
nao = ao_loc(shls_slice(2)+1) - ao_loc(shls_slice(1)+1);
ntmpao = ngrids*nao;
ndim = 3;
ndimngrids = numel(coord);
nnon0tab = numel(non0table);
ATM_SLOTS = 6;
BAS_SLOTS = 8;
ntmpatm = natm*ATM_SLOTS;
ntmpbas = nbas*BAS_SLOTS;
nenv = numel(env);
# GTOval_uracil_dimer_ccpvdz_mwrap(int[1] ngrids, int[2] shls_slice, int[naoloc] ao_loc, inout double[ntmpao] ao, double[ndimngrids] coord, int[nnon0tab] non0table, int[ntmpatm] atm, int[1] natm, int[ntmpbas] bas, int[1] nbas, double[nenv] env);
end
@function [ao] = GTOval_uracil_dimer_aug_ccpvdz_mwrap_mex( ngrids, shls_slice, ao_loc, ao, coord, non0table, atm, natm, bas, nbas, env)
naoloc = shls_slice(2) - shls_slice(1) + 1;
nao = ao_loc(shls_slice(2)+1) - ao_loc(shls_slice(1)+1);
ntmpao = ngrids*nao;
ndim = 3;
ndimngrids = numel(coord);
nnon0tab = numel(non0table);
ATM_SLOTS = 6;
BAS_SLOTS = 8;
ntmpatm = natm*ATM_SLOTS;
ntmpbas = nbas*BAS_SLOTS;
nenv = numel(env);
# GTOval_uracil_dimer_aug_ccpvdz_mwrap(int[1] ngrids, int[2] shls_slice, int[naoloc] ao_loc, inout double[ntmpao] ao, double[ndimngrids] coord, int[nnon0tab] non0table, int[ntmpatm] atm, int[1] natm, int[ntmpbas] bas, int[1] nbas, double[nenv] env);
end