Searched refs:ANG_BRA (Results 1 – 2 of 2) sorted by relevance
| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/test_f90/tools/ |
| H A D | test_trace_ints.F90 | 34 integer, parameter :: ANG_BRA = 10 !angular number on bra center local
36 integer, parameter :: NUM_SGTO_BRA = 2*ANG_BRA+1 !number of SGTOs on bra center
49 integer, parameter :: NUM_CGTO_BRA = (ANG_BRA+1)*(ANG_BRA+2)/2 !number of CGTOs on bra center
80 mag_bra(ibra) = ANG_BRA-ibra+1
116 call reorder_sgto_ints(ANG_BRA, NUM_SGTO_BRA, mag_bra, &
131 call trace_sgto_ints(ANG_BRA, NUM_SGTO_BRA, mag_bra, &
157 do zpow = ANG_BRA, 0, -1
158 do ypow = ANG_BRA-zpow, 0, -1
160 power_bra(1,addr_bra) = ANG_BRA-(zpow+ypow)
205 call reorder_cgto_ints(ANG_BRA, NUM_CGTO_BRA, power_bra, &
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| H A D | test_reorder_ints.F90 | 34 integer, parameter :: ANG_BRA = 10 !angular number on bra center local
36 integer, parameter :: NUM_SGTO_BRA = 2*ANG_BRA+1 !number of SGTOs on bra center
47 integer, parameter :: NUM_CGTO_BRA = (ANG_BRA+1)*(ANG_BRA+2)/2 !number of CGTOs on bra center
65 mag_bra(ibra) = ANG_BRA-ibra+1
91 call reorder_sgtos(ANG_BRA, NUM_SGTO_BRA, mag_bra, 1, NUM_CONTR_BRA, &
132 call reorder_sgto_ints(ANG_BRA, NUM_SGTO_BRA, mag_bra, &
172 do zpow = ANG_BRA, 0, -1
173 do ypow = ANG_BRA-zpow, 0, -1
175 power_bra(1,addr_bra) = ANG_BRA-(zpow+ypow)
210 call reorder_cgtos(ANG_BRA, NUM_CGTO_BRA, power_bra, 1, NUM_CONTR_BRA, &
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