/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | semi_empirical_types.F | 81 REAL(KIND=dp), DIMENSION(4, 4) :: bfn1, bfn2, bfn3 component 303 sep%bfn3 = 0.0_dp 868 "- "//"Core-Core VDW, Position [a.u.]: ", sep%bfn3(i, 1) 881 "- "//"Core-Core VDW, Position [a.u.]: ", sep%bfn3(i, 2) 894 "- "//"Core-Core VDW, Position [a.u.]: ", sep%bfn3(i, 3) 907 "- "//"Core-Core VDW, Position [a.u.]: ", sep%bfn3(i, 4)
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H A D | semi_empirical_int_ana.F | 450 fni3(1) = sepi%bfn3(1, nt) 451 fni3(2) = sepi%bfn3(2, nt) 452 fni3(3) = sepi%bfn3(3, nt) 453 fni3(4) = sepi%bfn3(4, nt) 488 fnj3(1) = sepj%bfn3(1, nt) 489 fnj3(2) = sepj%bfn3(2, nt) 490 fnj3(3) = sepj%bfn3(3, nt) 491 fnj3(4) = sepj%bfn3(4, nt)
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H A D | semi_empirical_par_utils.F | 318 sep%bfn3 = sep%bfn3*bohr
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H A D | semi_empirical_int_num.F | 573 fni3(:) = sepi%bfn3(:, nt) 593 fnj3(:) = sepj%bfn3(:, nt)
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H A D | semi_empirical_parameters.F | 1100 sep%bfn1(1, 1) = 0.1826130_dp; sep%bfn2(1, 1) = 6.0000000_dp; sep%bfn3(1, 1) = 0.7275920_dp 1101 sep%bfn1(2, 1) = 0.1185870_dp; sep%bfn2(2, 1) = 6.0000000_dp; sep%bfn3(2, 1) = 1.4666390_dp 1102 … sep%bfn1(3, 1) = -0.0732800_dp; sep%bfn2(3, 1) = 5.0000000_dp; sep%bfn3(3, 1) = 1.5709750_dp 1103 … sep%bfn1(1, 2) = 0.4122530_dp; sep%bfn2(1, 2) = 10.0000000_dp; sep%bfn3(1, 2) = 0.8325860_dp 1105 sep%bfn1(3, 2) = 0.0000000_dp; sep%bfn2(3, 2) = 0.0000000_dp; sep%bfn3(3, 2) = 0.0000000_dp 1106 sep%bfn1(1, 3) = 0.2617510_dp; sep%bfn2(1, 3) = 8.0000000_dp; sep%bfn3(1, 3) = 1.0639950_dp 1107 sep%bfn1(2, 3) = 0.0502750_dp; sep%bfn2(2, 3) = 5.0000000_dp; sep%bfn3(2, 3) = 1.9364920_dp 1108 sep%bfn1(3, 3) = 0.0000000_dp; sep%bfn2(3, 3) = 0.0000000_dp; sep%bfn3(3, 3) = 0.0000000_dp 1109 sep%bfn1(1, 4) = 0.3592440_dp; sep%bfn2(1, 4) = 9.0000000_dp; sep%bfn3(1, 4) = 0.8193510_dp 1110 sep%bfn1(2, 4) = 0.0747290_dp; sep%bfn2(2, 4) = 9.0000000_dp; sep%bfn3(2, 4) = 1.5744140_dp [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | semi_empirical_types.F | 81 REAL(KIND=dp), DIMENSION(4, 4) :: bfn1, bfn2, bfn3 component 303 sep%bfn3 = 0.0_dp 868 "- "//"Core-Core VDW, Position [a.u.]: ", sep%bfn3(i, 1) 881 "- "//"Core-Core VDW, Position [a.u.]: ", sep%bfn3(i, 2) 894 "- "//"Core-Core VDW, Position [a.u.]: ", sep%bfn3(i, 3) 907 "- "//"Core-Core VDW, Position [a.u.]: ", sep%bfn3(i, 4)
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H A D | semi_empirical_int_ana.F | 450 fni3(1) = sepi%bfn3(1, nt) 451 fni3(2) = sepi%bfn3(2, nt) 452 fni3(3) = sepi%bfn3(3, nt) 453 fni3(4) = sepi%bfn3(4, nt) 488 fnj3(1) = sepj%bfn3(1, nt) 489 fnj3(2) = sepj%bfn3(2, nt) 490 fnj3(3) = sepj%bfn3(3, nt) 491 fnj3(4) = sepj%bfn3(4, nt)
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H A D | semi_empirical_int_num.F | 573 fni3(:) = sepi%bfn3(:, nt) 593 fnj3(:) = sepj%bfn3(:, nt)
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H A D | semi_empirical_par_utils.F | 318 sep%bfn3 = sep%bfn3*bohr
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H A D | semi_empirical_parameters.F | 1100 sep%bfn1(1, 1) = 0.1826130_dp; sep%bfn2(1, 1) = 6.0000000_dp; sep%bfn3(1, 1) = 0.7275920_dp 1101 sep%bfn1(2, 1) = 0.1185870_dp; sep%bfn2(2, 1) = 6.0000000_dp; sep%bfn3(2, 1) = 1.4666390_dp 1102 … sep%bfn1(3, 1) = -0.0732800_dp; sep%bfn2(3, 1) = 5.0000000_dp; sep%bfn3(3, 1) = 1.5709750_dp 1103 … sep%bfn1(1, 2) = 0.4122530_dp; sep%bfn2(1, 2) = 10.0000000_dp; sep%bfn3(1, 2) = 0.8325860_dp 1105 sep%bfn1(3, 2) = 0.0000000_dp; sep%bfn2(3, 2) = 0.0000000_dp; sep%bfn3(3, 2) = 0.0000000_dp 1106 sep%bfn1(1, 3) = 0.2617510_dp; sep%bfn2(1, 3) = 8.0000000_dp; sep%bfn3(1, 3) = 1.0639950_dp 1107 sep%bfn1(2, 3) = 0.0502750_dp; sep%bfn2(2, 3) = 5.0000000_dp; sep%bfn3(2, 3) = 1.9364920_dp 1108 sep%bfn1(3, 3) = 0.0000000_dp; sep%bfn2(3, 3) = 0.0000000_dp; sep%bfn3(3, 3) = 0.0000000_dp 1109 sep%bfn1(1, 4) = 0.3592440_dp; sep%bfn2(1, 4) = 9.0000000_dp; sep%bfn3(1, 4) = 0.8193510_dp 1110 sep%bfn1(2, 4) = 0.0747290_dp; sep%bfn2(2, 4) = 9.0000000_dp; sep%bfn3(2, 4) = 1.5744140_dp [all …]
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/dports/comms/uhd/uhd-90ce6062b6b5df2eddeee723777be85108e4e7c7/fpga/usrp3/top/b2xxmini/coregen_dsp/ |
H A D | hbdec1.ngc | 3 …i7>52z?ged<4ik16hll51238yv4?8o0;6?u2d`a97dd<5mko6<=>;|q1<46=838p1ioj:2ca?8bfn3;8=6s|2932>5<5s4ni<7…
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/dports/comms/uhd/uhd-90ce6062b6b5df2eddeee723777be85108e4e7c7/fpga/usrp3/lib/io_port2/ |
H A D | LvFpga_Chinch_Interface.ngc | 3 …5639d21920?<5?n<;78:9:?5`2>=><301;j73;46=>;1l1o1:874=7f:=?02127=hl:564;893bfn3<>5639dc6920?<5?ni97…
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