Searched refs:mag_ket (Results 1 – 8 of 8) sorted by relevance
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/src/tools/ |
H A D | reorder_ints.F90 | 40 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
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H A D | trace_ints.F90 | 45 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
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/test_f90/tools/ |
H A D | test_trace_ints.F90 | 39 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, &
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H A D | test_reorder_ints.F90 | 39 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, &
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/test_py/ |
H A D | test_trace_ints.py | 59 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,
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H A D | test_norm_contr_gto.py | 59 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,
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H A D | test_reorder_ints.py | 59 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,
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/doc/ |
H A D | manual.tex | 611 & & \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|\\
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