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Searched refs:mag_ket (Results 1 – 8 of 8) sorted by relevance

/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/src/tools/
H A Dreorder_ints.F9040 subroutine reorder_sgtos(ang_ket, num_sgto_ket, mag_ket, dim_sgto_bra, & argument
46 integer, intent(in) :: mag_ket(num_sgto_ket) local
80 addr_ket = mag_ket(iket)+ang_ket_one
113 ang_ket, num_sgto_ket, mag_ket, & argument
123 integer, intent(in) :: mag_ket(num_sgto_ket) local
165 addr_ket = mag_ket(iket)+ang_ket_one
H A Dtrace_ints.F9045 ang_ket, num_sgto_ket, mag_ket, & argument
55 integer, intent(in) :: mag_ket(num_sgto_ket) local
99 addr_ket = mag_ket(iket)+ang_ket_one
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/test_f90/tools/
H A Dtest_trace_ints.F9039 integer mag_ket(NUM_SGTO_KET) !magnetic numbers on ket center local
83 mag_ket(iket) = ANG_KET-iket+1
117 ANG_KET, NUM_SGTO_KET, mag_ket, &
132 ANG_KET, NUM_SGTO_KET, mag_ket, &
H A Dtest_reorder_ints.F9039 integer mag_ket(NUM_SGTO_KET) !magnetic numbers on ket center local
68 mag_ket(iket) = ANG_KET-iket+1
133 ANG_KET, NUM_SGTO_KET, mag_ket, &
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/test_py/
H A Dtest_trace_ints.py59 self.mag_ket = xrange(self.ang_ket,-self.ang_ket-1,-1)
93 self.ang_ket,self.mag_ket,
125 self.ang_ket,self.mag_ket,
H A Dtest_norm_contr_gto.py59 self.mag_ket = xrange(self.ang_ket,-self.ang_ket-1,-1)
93 self.ang_ket,self.mag_ket,
125 self.ang_ket,self.mag_ket,
H A Dtest_reorder_ints.py59 self.mag_ket = xrange(self.ang_ket,-self.ang_ket-1,-1)
93 self.ang_ket,self.mag_ket,
125 self.ang_ket,self.mag_ket,
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/doc/
H A Dmanual.tex611 & & \verb|mag_ket| & magnetic numbers of basis functions on ket center\\
621 & \textbf{Out} & \verb|ro_ints| & reordered integrals according to given \verb|mag_ket|\\
637 & & \verb|mag_ket| & magnetic numbers of basis functions on ket center\\
647 …{Out} & \verb|ro_ints| & reordered integrals according to given \verb|mag_bra| and \verb|mag_ket|\\