/dports/science/openbabel/openbabel-3.1.1/test/pdb_ligands_sdf/ |
H A D | 1t4p_2bh.sdf | 3 Coordinates from PDB:1T4P:A:1000 Model:1 without hydrogens 65 1T4P
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H A D | 1w19_t4p.sdf | 127 T4P
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/dports/biology/molden/molden5.8/plush/ |
H A D | T4P | 1 mol="T4P" Charge="0"
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/dports/math/fftw3-float/fftw-3.3.9/rdft/scalar/r2cf/ |
H A D | hf2_20.c | 494 E T4S, T4U, T4M, T4G, T4N, T4O, T4T, T4P; in hf2_20() local 512 T4P = FMA(KP559016994, T4O, T4N); in hf2_20() 513 cr[WS(rs, 14)] = FMS(KP951056516, T4S, T4P); in hf2_20() 514 ci[WS(rs, 13)] = FMA(KP951056516, T4S, T4P); in hf2_20() 1063 E T4Q, T4L, T4R, T4P, T4T, T4N, T4O, T4U, T4S; in hf2_20() local 1069 T4P = FMA(KP951056516, T4N, KP587785252 * T4O); in hf2_20() 1076 cr[WS(rs, 11)] = T4P + T4S; in hf2_20() 1077 cr[WS(rs, 19)] = T4S - T4P; in hf2_20()
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H A D | hc2cfdft_20.c | 427 E T4S, T4U, T4J, T4M, T4N, T4O, T4T, T4P; in hc2cfdft_20() local 445 T4P = FNMS(KP559016994, T4O, T4N); in hc2cfdft_20() 446 Rp[WS(rs, 3)] = KP500000000 * (FMA(KP951056516, T4S, T4P)); in hc2cfdft_20() 447 Rp[WS(rs, 7)] = KP500000000 * (FNMS(KP951056516, T4S, T4P)); in hc2cfdft_20() 1119 E T4O, T4P, T4I, T4J, T4F, T4K, T4Q, T4L; in hc2cfdft_20() local 1125 T4P = FNMS(KP293892626, T4M, KP475528258 * T4N); in hc2cfdft_20() 1135 Rp[WS(rs, 8)] = T4P + T4Q; in hc2cfdft_20() 1136 Rm[WS(rs, 7)] = T4Q - T4P; in hc2cfdft_20()
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H A D | hc2cf2_20.c | 471 E T4S, T4U, T4M, T4G, T4N, T4O, T4T, T4P; in hc2cf2_20() local 489 T4P = FMA(KP559016994, T4O, T4N); in hc2cf2_20() 490 Im[WS(rs, 3)] = FMS(KP951056516, T4S, T4P); in hc2cf2_20() 491 Ip[WS(rs, 4)] = FMA(KP951056516, T4S, T4P); in hc2cf2_20() 1029 E T4Q, T4L, T4R, T4P, T4U, T4N, T4O, T4T, T4S; in hc2cf2_20() local 1035 T4P = FMA(KP951056516, T4N, KP587785252 * T4O); in hc2cf2_20() 1042 Im[WS(rs, 8)] = T4P + T4S; in hc2cf2_20() 1043 Im[0] = T4S - T4P; in hc2cf2_20()
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/dports/math/fftw3-long/fftw-3.3.9/dft/scalar/codelets/ |
H A D | t2_20.c | 471 E T4S, T4U, T4M, T4G, T4N, T4O, T4T, T4P; in t2_20() local 489 T4P = FMA(KP559016994, T4O, T4N); in t2_20() 490 ii[WS(rs, 4)] = FMA(KP951056516, T4S, T4P); in t2_20() 491 ii[WS(rs, 16)] = FNMS(KP951056516, T4S, T4P); in t2_20() 1029 E T4O, T4M, T4N, T4S, T4U, T4Q, T4R, T4T, T4P; in t2_20() local 1041 T4P = T4N - T4O; in t2_20() 1042 ii[WS(rs, 3)] = T4P - T4S; in t2_20() 1043 ii[WS(rs, 7)] = T4S + T4P; in t2_20()
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/dports/math/fftw3/fftw-3.3.9/rdft/scalar/r2cb/ |
H A D | hb2_20.c | 155 E T2C, Tl, T4D, T4N, TL, T1m, T3p, T3O, T2z, Tt, T4F, T4P, TN, T10, T3t; in hb2_20() local 282 T4P = T3D + T3C; in hb2_20() 298 T4R = T4P - T4Q; in hb2_20() 339 T4X = T4P + T4Q; in hb2_20() 606 E T4R, T1P, T4P, T49, T2N, T2f, T47, T2L; in hb2_20() local 668 T4P = FMA(TJ, T1L, T1t * T1M); in hb2_20() 974 cr[WS(rs, 17)] = FNMS(T4R, T4S, T4P * T4Q); in hb2_20() 975 ci[WS(rs, 17)] = FMA(T4P, T4S, T4R * T4Q); in hb2_20()
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H A D | hc2cb2_20.c | 155 E T2C, Tl, T4D, T4N, TL, T1m, T3p, T3O, T2z, Tt, T4F, T4P, TN, T10, T3t; in hc2cb2_20() local 282 T4P = T3D + T3C; in hc2cb2_20() 298 T4R = T4P - T4Q; in hc2cb2_20() 339 T4X = T4P + T4Q; in hc2cb2_20() 606 E T4R, T1P, T4P, T49, T2N, T2f, T47, T2L; in hc2cb2_20() local 668 T4P = FMA(TJ, T1L, T1t * T1M); in hc2cb2_20() 974 Ip[WS(rs, 8)] = FNMS(T4R, T4S, T4P * T4Q); in hc2cb2_20() 975 Im[WS(rs, 8)] = FMA(T4P, T4S, T4R * T4Q); in hc2cb2_20()
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H A D | hc2cbdft_20.c | 440 E T55, T51, T53, T54, T5h, T5I, T5L, T5J, T5P, T43, T5F, T4P, T5p, T3x, T3R; in hc2cbdft_20() local 464 T4P = FMA(KP951056516, T4O, T4N); in hc2cbdft_20() 548 T4Q = FNMS(T4M, T4P, T4L); in hc2cbdft_20() 549 T4Y = FMA(T4H, T4P, T4X); in hc2cbdft_20() 990 E T4F, T4P, T5c, T5e, T3y, T54, T4o, T4S, T4h, T4Z, T4x, T4N, T45, T4X, T4v; in hc2cbdft_20() local 999 T4P = FMA(T4D, T4C, T4B * T4E); in hc2cbdft_20() 1065 Ip[WS(rs, 5)] = T4P + T4Q; in hc2cbdft_20() 1067 Im[WS(rs, 5)] = T4Q - T4P; in hc2cbdft_20()
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H A D | hc2cbdft2_20.c | 440 E T55, T51, T53, T54, T5h, T5I, T5L, T5J, T5P, T43, T5F, T4P, T5p, T3x, T3R; in hc2cbdft2_20() local 464 T4P = FMA(KP951056516, T4O, T4N); in hc2cbdft2_20() 548 T4Q = FNMS(T4M, T4P, T4L); in hc2cbdft2_20() 549 T4Y = FMA(T4H, T4P, T4X); in hc2cbdft2_20() 990 E T4F, T4P, T5c, T5e, T3y, T54, T4o, T4S, T4h, T4Z, T4x, T4N, T45, T4X, T4v; in hc2cbdft2_20() local 999 T4P = FMA(T4D, T4C, T4B * T4E); in hc2cbdft2_20() 1065 Ip[WS(rs, 5)] = T4P + T4Q; in hc2cbdft2_20() 1067 Im[WS(rs, 5)] = T4Q - T4P; in hc2cbdft2_20()
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/dports/math/fftw3/fftw-3.3.9/rdft/scalar/r2cf/ |
H A D | hc2cf2_20.c | 471 E T4S, T4U, T4M, T4G, T4N, T4O, T4T, T4P; in hc2cf2_20() local 489 T4P = FMA(KP559016994, T4O, T4N); in hc2cf2_20() 490 Im[WS(rs, 3)] = FMS(KP951056516, T4S, T4P); in hc2cf2_20() 491 Ip[WS(rs, 4)] = FMA(KP951056516, T4S, T4P); in hc2cf2_20() 1029 E T4Q, T4L, T4R, T4P, T4U, T4N, T4O, T4T, T4S; in hc2cf2_20() local 1035 T4P = FMA(KP951056516, T4N, KP587785252 * T4O); in hc2cf2_20() 1042 Im[WS(rs, 8)] = T4P + T4S; in hc2cf2_20() 1043 Im[0] = T4S - T4P; in hc2cf2_20()
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H A D | hc2cfdft_20.c | 427 E T4S, T4U, T4J, T4M, T4N, T4O, T4T, T4P; in hc2cfdft_20() local 445 T4P = FNMS(KP559016994, T4O, T4N); in hc2cfdft_20() 446 Rp[WS(rs, 3)] = KP500000000 * (FMA(KP951056516, T4S, T4P)); in hc2cfdft_20() 447 Rp[WS(rs, 7)] = KP500000000 * (FNMS(KP951056516, T4S, T4P)); in hc2cfdft_20() 1119 E T4O, T4P, T4I, T4J, T4F, T4K, T4Q, T4L; in hc2cfdft_20() local 1125 T4P = FNMS(KP293892626, T4M, KP475528258 * T4N); in hc2cfdft_20() 1135 Rp[WS(rs, 8)] = T4P + T4Q; in hc2cfdft_20() 1136 Rm[WS(rs, 7)] = T4Q - T4P; in hc2cfdft_20()
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H A D | hf2_20.c | 494 E T4S, T4U, T4M, T4G, T4N, T4O, T4T, T4P; in hf2_20() local 512 T4P = FMA(KP559016994, T4O, T4N); in hf2_20() 513 cr[WS(rs, 14)] = FMS(KP951056516, T4S, T4P); in hf2_20() 514 ci[WS(rs, 13)] = FMA(KP951056516, T4S, T4P); in hf2_20() 1063 E T4Q, T4L, T4R, T4P, T4T, T4N, T4O, T4U, T4S; in hf2_20() local 1069 T4P = FMA(KP951056516, T4N, KP587785252 * T4O); in hf2_20() 1076 cr[WS(rs, 11)] = T4P + T4S; in hf2_20() 1077 cr[WS(rs, 19)] = T4S - T4P; in hf2_20()
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/dports/math/fftw3-float/fftw-3.3.9/rdft/scalar/r2cb/ |
H A D | hb2_20.c | 155 E T2C, Tl, T4D, T4N, TL, T1m, T3p, T3O, T2z, Tt, T4F, T4P, TN, T10, T3t; in hb2_20() local 282 T4P = T3D + T3C; in hb2_20() 298 T4R = T4P - T4Q; in hb2_20() 339 T4X = T4P + T4Q; in hb2_20() 606 E T4R, T1P, T4P, T49, T2N, T2f, T47, T2L; in hb2_20() local 668 T4P = FMA(TJ, T1L, T1t * T1M); in hb2_20() 974 cr[WS(rs, 17)] = FNMS(T4R, T4S, T4P * T4Q); in hb2_20() 975 ci[WS(rs, 17)] = FMA(T4P, T4S, T4R * T4Q); in hb2_20()
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H A D | hc2cb2_20.c | 155 E T2C, Tl, T4D, T4N, TL, T1m, T3p, T3O, T2z, Tt, T4F, T4P, TN, T10, T3t; in hc2cb2_20() local 282 T4P = T3D + T3C; in hc2cb2_20() 298 T4R = T4P - T4Q; in hc2cb2_20() 339 T4X = T4P + T4Q; in hc2cb2_20() 606 E T4R, T1P, T4P, T49, T2N, T2f, T47, T2L; in hc2cb2_20() local 668 T4P = FMA(TJ, T1L, T1t * T1M); in hc2cb2_20() 974 Ip[WS(rs, 8)] = FNMS(T4R, T4S, T4P * T4Q); in hc2cb2_20() 975 Im[WS(rs, 8)] = FMA(T4P, T4S, T4R * T4Q); in hc2cb2_20()
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H A D | hc2cbdft_20.c | 440 E T55, T51, T53, T54, T5h, T5I, T5L, T5J, T5P, T43, T5F, T4P, T5p, T3x, T3R; in hc2cbdft_20() local 464 T4P = FMA(KP951056516, T4O, T4N); in hc2cbdft_20() 548 T4Q = FNMS(T4M, T4P, T4L); in hc2cbdft_20() 549 T4Y = FMA(T4H, T4P, T4X); in hc2cbdft_20() 990 E T4F, T4P, T5c, T5e, T3y, T54, T4o, T4S, T4h, T4Z, T4x, T4N, T45, T4X, T4v; in hc2cbdft_20() local 999 T4P = FMA(T4D, T4C, T4B * T4E); in hc2cbdft_20() 1065 Ip[WS(rs, 5)] = T4P + T4Q; in hc2cbdft_20() 1067 Im[WS(rs, 5)] = T4Q - T4P; in hc2cbdft_20()
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/dports/math/fftw3-float/fftw-3.3.9/dft/scalar/codelets/ |
H A D | t2_20.c | 471 E T4S, T4U, T4M, T4G, T4N, T4O, T4T, T4P; in t2_20() local 489 T4P = FMA(KP559016994, T4O, T4N); in t2_20() 490 ii[WS(rs, 4)] = FMA(KP951056516, T4S, T4P); in t2_20() 491 ii[WS(rs, 16)] = FNMS(KP951056516, T4S, T4P); in t2_20() 1029 E T4O, T4M, T4N, T4S, T4U, T4Q, T4R, T4T, T4P; in t2_20() local 1041 T4P = T4N - T4O; in t2_20() 1042 ii[WS(rs, 3)] = T4P - T4S; in t2_20() 1043 ii[WS(rs, 7)] = T4S + T4P; in t2_20()
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/dports/math/fftw3-long/fftw-3.3.9/rdft/scalar/r2cb/ |
H A D | hc2cb2_20.c | 155 E T2C, Tl, T4D, T4N, TL, T1m, T3p, T3O, T2z, Tt, T4F, T4P, TN, T10, T3t; in hc2cb2_20() local 282 T4P = T3D + T3C; in hc2cb2_20() 298 T4R = T4P - T4Q; in hc2cb2_20() 339 T4X = T4P + T4Q; in hc2cb2_20() 606 E T4R, T1P, T4P, T49, T2N, T2f, T47, T2L; in hc2cb2_20() local 668 T4P = FMA(TJ, T1L, T1t * T1M); in hc2cb2_20() 974 Ip[WS(rs, 8)] = FNMS(T4R, T4S, T4P * T4Q); in hc2cb2_20() 975 Im[WS(rs, 8)] = FMA(T4P, T4S, T4R * T4Q); in hc2cb2_20()
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H A D | hc2cbdft_20.c | 440 E T55, T51, T53, T54, T5h, T5I, T5L, T5J, T5P, T43, T5F, T4P, T5p, T3x, T3R; in hc2cbdft_20() local 464 T4P = FMA(KP951056516, T4O, T4N); in hc2cbdft_20() 548 T4Q = FNMS(T4M, T4P, T4L); in hc2cbdft_20() 549 T4Y = FMA(T4H, T4P, T4X); in hc2cbdft_20() 990 E T4F, T4P, T5c, T5e, T3y, T54, T4o, T4S, T4h, T4Z, T4x, T4N, T45, T4X, T4v; in hc2cbdft_20() local 999 T4P = FMA(T4D, T4C, T4B * T4E); in hc2cbdft_20() 1065 Ip[WS(rs, 5)] = T4P + T4Q; in hc2cbdft_20() 1067 Im[WS(rs, 5)] = T4Q - T4P; in hc2cbdft_20()
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H A D | hc2cbdft2_20.c | 440 E T55, T51, T53, T54, T5h, T5I, T5L, T5J, T5P, T43, T5F, T4P, T5p, T3x, T3R; in hc2cbdft2_20() local 464 T4P = FMA(KP951056516, T4O, T4N); in hc2cbdft2_20() 548 T4Q = FNMS(T4M, T4P, T4L); in hc2cbdft2_20() 549 T4Y = FMA(T4H, T4P, T4X); in hc2cbdft2_20() 990 E T4F, T4P, T5c, T5e, T3y, T54, T4o, T4S, T4h, T4Z, T4x, T4N, T45, T4X, T4v; in hc2cbdft2_20() local 999 T4P = FMA(T4D, T4C, T4B * T4E); in hc2cbdft2_20() 1065 Ip[WS(rs, 5)] = T4P + T4Q; in hc2cbdft2_20() 1067 Im[WS(rs, 5)] = T4Q - T4P; in hc2cbdft2_20()
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H A D | hb2_20.c | 155 E T2C, Tl, T4D, T4N, TL, T1m, T3p, T3O, T2z, Tt, T4F, T4P, TN, T10, T3t; in hb2_20() local 282 T4P = T3D + T3C; in hb2_20() 298 T4R = T4P - T4Q; in hb2_20() 339 T4X = T4P + T4Q; in hb2_20() 606 E T4R, T1P, T4P, T49, T2N, T2f, T47, T2L; in hb2_20() local 668 T4P = FMA(TJ, T1L, T1t * T1M); in hb2_20() 974 cr[WS(rs, 17)] = FNMS(T4R, T4S, T4P * T4Q); in hb2_20() 975 ci[WS(rs, 17)] = FMA(T4P, T4S, T4R * T4Q); in hb2_20()
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/dports/math/fftw3-long/fftw-3.3.9/rdft/scalar/r2cf/ |
H A D | hf2_20.c | 494 E T4S, T4U, T4M, T4G, T4N, T4O, T4T, T4P; in hf2_20() local 512 T4P = FMA(KP559016994, T4O, T4N); in hf2_20() 513 cr[WS(rs, 14)] = FMS(KP951056516, T4S, T4P); in hf2_20() 514 ci[WS(rs, 13)] = FMA(KP951056516, T4S, T4P); in hf2_20() 1063 E T4Q, T4L, T4R, T4P, T4T, T4N, T4O, T4U, T4S; in hf2_20() local 1069 T4P = FMA(KP951056516, T4N, KP587785252 * T4O); in hf2_20() 1076 cr[WS(rs, 11)] = T4P + T4S; in hf2_20() 1077 cr[WS(rs, 19)] = T4S - T4P; in hf2_20()
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H A D | hc2cfdft_20.c | 427 E T4S, T4U, T4J, T4M, T4N, T4O, T4T, T4P; in hc2cfdft_20() local 445 T4P = FNMS(KP559016994, T4O, T4N); in hc2cfdft_20() 446 Rp[WS(rs, 3)] = KP500000000 * (FMA(KP951056516, T4S, T4P)); in hc2cfdft_20() 447 Rp[WS(rs, 7)] = KP500000000 * (FNMS(KP951056516, T4S, T4P)); in hc2cfdft_20() 1119 E T4O, T4P, T4I, T4J, T4F, T4K, T4Q, T4L; in hc2cfdft_20() local 1125 T4P = FNMS(KP293892626, T4M, KP475528258 * T4N); in hc2cfdft_20() 1135 Rp[WS(rs, 8)] = T4P + T4Q; in hc2cfdft_20() 1136 Rm[WS(rs, 7)] = T4Q - T4P; in hc2cfdft_20()
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/dports/math/fftw3-quad/fftw-3.3.9/dft/scalar/codelets/ |
H A D | t2_20.c | 471 E T4S, T4U, T4M, T4G, T4N, T4O, T4T, T4P; in t2_20() local 489 T4P = FMA(KP559016994, T4O, T4N); in t2_20() 490 ii[WS(rs, 4)] = FMA(KP951056516, T4S, T4P); in t2_20() 491 ii[WS(rs, 16)] = FNMS(KP951056516, T4S, T4P); in t2_20() 1029 E T4O, T4M, T4N, T4S, T4U, T4Q, T4R, T4T, T4P; in t2_20() local 1041 T4P = T4N - T4O; in t2_20() 1042 ii[WS(rs, 3)] = T4P - T4S; in t2_20() 1043 ii[WS(rs, 7)] = T4S + T4P; in t2_20()
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