/dports/science/openbabel/openbabel-3.1.1/test/pdb_ligands_sdf/ |
H A D | 1t8i_ehd.sdf | 3 Coordinates from PDB:1T8I:D:990 Model:1 without hydrogens 121 1T8I
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H A D | 5t8i_77c.sdf | 3 Coordinates from PDB:5T8I:A:1101 Model:1 without hydrogens 153 5T8I
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/dports/math/fftw3/fftw-3.3.9/rdft/scalar/r2cb/ |
H A D | hc2cbdft_32.c | 837 E T8I, T96, T94, T98, T8W; in hc2cbdft_32() local 838 T8I = FNMS(T8A, T8H, T8z); in hc2cbdft_32() 843 Rp[WS(rs, 3)] = T8I - T94; in hc2cbdft_32() 845 Rm[WS(rs, 3)] = T8I + T94; in hc2cbdft_32() 1589 E T8g, T8H, T8d, T8I, T8b, T8c; in hc2cbdft_32() local 1595 T8I = T8b - T8c; in hc2cbdft_32() 1597 T8X = T8H - T8I; in hc2cbdft_32() 1599 T8J = T8H + T8I; in hc2cbdft_32()
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H A D | hc2cbdft2_32.c | 837 E T8I, T96, T94, T98, T8W; in hc2cbdft2_32() local 838 T8I = FNMS(T8A, T8H, T8z); in hc2cbdft2_32() 843 Rp[WS(rs, 3)] = T8I - T94; in hc2cbdft2_32() 845 Rm[WS(rs, 3)] = T8I + T94; in hc2cbdft2_32() 1589 E T8g, T8H, T8d, T8I, T8b, T8c; in hc2cbdft2_32() local 1595 T8I = T8b - T8c; in hc2cbdft2_32() 1597 T8X = T8H - T8I; in hc2cbdft2_32() 1599 T8J = T8H + T8I; in hc2cbdft2_32()
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/dports/math/fftw3/fftw-3.3.9/rdft/scalar/r2cf/ |
H A D | hc2cfdft_32.c | 937 E T8D, T8E, T8F, T8I; in hc2cfdft_32() local 943 T8I = T8G - T8H; in hc2cfdft_32() 944 Ip[WS(rs, 9)] = KP500000000 * (FMA(KP980785280, T8I, T8F)); in hc2cfdft_32() 945 Im[WS(rs, 6)] = -(KP500000000 * (FNMS(KP980785280, T8I, T8F))); in hc2cfdft_32() 1925 E T8f, T8u, T8H, T8I; in hc2cfdft_32() local 1931 T8I = T8E + T8F; in hc2cfdft_32() 1932 Rm[WS(rs, 12)] = T8H - T8I; in hc2cfdft_32() 1933 Rp[WS(rs, 3)] = T8H + T8I; in hc2cfdft_32()
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H A D | hc2cfdft2_32.c | 836 E Tao, T8I, T9A, T9g, T9q, T9O, Tau, Taa, Tak, T9W, Taz, Taf, Tar, T91, T9B; in hc2cfdft2_32() local 913 T8I = FMA(KP198912367, T8H, T8A); in hc2cfdft2_32() 975 T92 = T8I + T91; in hc2cfdft2_32() 986 T9e = T91 - T8I; in hc2cfdft2_32() 1231 E T5n, T6d, T7b, T8J, T7z, T8R, T78, T8I; in hc2cfdft2_32() local 1667 T8I = T76 + T77; in hc2cfdft2_32() 1949 T8K = FMA(KP191341716, T8I, KP461939766 * T8J); in hc2cfdft2_32() 1959 T99 = FNMS(KP461939766, T8I, KP191341716 * T8J); in hc2cfdft2_32()
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/dports/math/fftw3-float/fftw-3.3.9/rdft/scalar/r2cf/ |
H A D | hc2cfdft_32.c | 937 E T8D, T8E, T8F, T8I; in hc2cfdft_32() local 943 T8I = T8G - T8H; in hc2cfdft_32() 944 Ip[WS(rs, 9)] = KP500000000 * (FMA(KP980785280, T8I, T8F)); in hc2cfdft_32() 945 Im[WS(rs, 6)] = -(KP500000000 * (FNMS(KP980785280, T8I, T8F))); in hc2cfdft_32() 1925 E T8f, T8u, T8H, T8I; in hc2cfdft_32() local 1931 T8I = T8E + T8F; in hc2cfdft_32() 1932 Rm[WS(rs, 12)] = T8H - T8I; in hc2cfdft_32() 1933 Rp[WS(rs, 3)] = T8H + T8I; in hc2cfdft_32()
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H A D | hc2cfdft2_32.c | 836 E Tao, T8I, T9A, T9g, T9q, T9O, Tau, Taa, Tak, T9W, Taz, Taf, Tar, T91, T9B; in hc2cfdft2_32() local 913 T8I = FMA(KP198912367, T8H, T8A); in hc2cfdft2_32() 975 T92 = T8I + T91; in hc2cfdft2_32() 986 T9e = T91 - T8I; in hc2cfdft2_32() 1231 E T5n, T6d, T7b, T8J, T7z, T8R, T78, T8I; in hc2cfdft2_32() local 1667 T8I = T76 + T77; in hc2cfdft2_32() 1949 T8K = FMA(KP191341716, T8I, KP461939766 * T8J); in hc2cfdft2_32() 1959 T99 = FNMS(KP461939766, T8I, KP191341716 * T8J); in hc2cfdft2_32()
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H A D | r2cf_128.c | 1531 E T7B, T8N, T7Q, T8Y, T8E, T8O, T8B, T8X, T8t, T92, T8J, T8V, T8a, T93, T8I; in r2cf_128() local 1577 T8I = FNMS(KP148335987, T82, T89); in r2cf_128() 1588 T8K = T8I - T8J; in r2cf_128() 1599 T8M = T8I + T8J; in r2cf_128() 3140 E T7B, T8N, T7Q, T8X, T8E, T8Y, T8x, T8O, T8t, T93, T8J, T8V, T8a, T92, T8I; in r2cf_128() local 3186 T8I = FNMS(KP146730474, T82, KP989176509 * T89); in r2cf_128() 3197 T8K = T8I + T8J; in r2cf_128() 3208 T8M = T8J - T8I; in r2cf_128()
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/dports/math/fftw3-float/fftw-3.3.9/rdft/scalar/r2cb/ |
H A D | hc2cbdft_32.c | 837 E T8I, T96, T94, T98, T8W; in hc2cbdft_32() local 838 T8I = FNMS(T8A, T8H, T8z); in hc2cbdft_32() 843 Rp[WS(rs, 3)] = T8I - T94; in hc2cbdft_32() 845 Rm[WS(rs, 3)] = T8I + T94; in hc2cbdft_32() 1589 E T8g, T8H, T8d, T8I, T8b, T8c; in hc2cbdft_32() local 1595 T8I = T8b - T8c; in hc2cbdft_32() 1597 T8X = T8H - T8I; in hc2cbdft_32() 1599 T8J = T8H + T8I; in hc2cbdft_32()
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H A D | hc2cbdft2_32.c | 837 E T8I, T96, T94, T98, T8W; in hc2cbdft2_32() local 838 T8I = FNMS(T8A, T8H, T8z); in hc2cbdft2_32() 843 Rp[WS(rs, 3)] = T8I - T94; in hc2cbdft2_32() 845 Rm[WS(rs, 3)] = T8I + T94; in hc2cbdft2_32() 1589 E T8g, T8H, T8d, T8I, T8b, T8c; in hc2cbdft2_32() local 1595 T8I = T8b - T8c; in hc2cbdft2_32() 1597 T8X = T8H - T8I; in hc2cbdft2_32() 1599 T8J = T8H + T8I; in hc2cbdft2_32()
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/dports/math/fftw3-long/fftw-3.3.9/rdft/scalar/r2cb/ |
H A D | hc2cbdft2_32.c | 837 E T8I, T96, T94, T98, T8W; in hc2cbdft2_32() local 838 T8I = FNMS(T8A, T8H, T8z); in hc2cbdft2_32() 843 Rp[WS(rs, 3)] = T8I - T94; in hc2cbdft2_32() 845 Rm[WS(rs, 3)] = T8I + T94; in hc2cbdft2_32() 1589 E T8g, T8H, T8d, T8I, T8b, T8c; in hc2cbdft2_32() local 1595 T8I = T8b - T8c; in hc2cbdft2_32() 1597 T8X = T8H - T8I; in hc2cbdft2_32() 1599 T8J = T8H + T8I; in hc2cbdft2_32()
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H A D | hc2cbdft_32.c | 837 E T8I, T96, T94, T98, T8W; in hc2cbdft_32() local 838 T8I = FNMS(T8A, T8H, T8z); in hc2cbdft_32() 843 Rp[WS(rs, 3)] = T8I - T94; in hc2cbdft_32() 845 Rm[WS(rs, 3)] = T8I + T94; in hc2cbdft_32() 1589 E T8g, T8H, T8d, T8I, T8b, T8c; in hc2cbdft_32() local 1595 T8I = T8b - T8c; in hc2cbdft_32() 1597 T8X = T8H - T8I; in hc2cbdft_32() 1599 T8J = T8H + T8I; in hc2cbdft_32()
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/dports/math/fftw3-long/fftw-3.3.9/rdft/scalar/r2cf/ |
H A D | hc2cfdft_32.c | 937 E T8D, T8E, T8F, T8I; in hc2cfdft_32() local 943 T8I = T8G - T8H; in hc2cfdft_32() 944 Ip[WS(rs, 9)] = KP500000000 * (FMA(KP980785280, T8I, T8F)); in hc2cfdft_32() 945 Im[WS(rs, 6)] = -(KP500000000 * (FNMS(KP980785280, T8I, T8F))); in hc2cfdft_32() 1925 E T8f, T8u, T8H, T8I; in hc2cfdft_32() local 1931 T8I = T8E + T8F; in hc2cfdft_32() 1932 Rm[WS(rs, 12)] = T8H - T8I; in hc2cfdft_32() 1933 Rp[WS(rs, 3)] = T8H + T8I; in hc2cfdft_32()
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H A D | hc2cfdft2_32.c | 836 E Tao, T8I, T9A, T9g, T9q, T9O, Tau, Taa, Tak, T9W, Taz, Taf, Tar, T91, T9B; in hc2cfdft2_32() local 913 T8I = FMA(KP198912367, T8H, T8A); in hc2cfdft2_32() 975 T92 = T8I + T91; in hc2cfdft2_32() 986 T9e = T91 - T8I; in hc2cfdft2_32() 1231 E T5n, T6d, T7b, T8J, T7z, T8R, T78, T8I; in hc2cfdft2_32() local 1667 T8I = T76 + T77; in hc2cfdft2_32() 1949 T8K = FMA(KP191341716, T8I, KP461939766 * T8J); in hc2cfdft2_32() 1959 T99 = FNMS(KP461939766, T8I, KP191341716 * T8J); in hc2cfdft2_32()
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/dports/math/fftw3-quad/fftw-3.3.9/rdft/scalar/r2cb/ |
H A D | hc2cbdft_32.c | 837 E T8I, T96, T94, T98, T8W; in hc2cbdft_32() local 838 T8I = FNMS(T8A, T8H, T8z); in hc2cbdft_32() 843 Rp[WS(rs, 3)] = T8I - T94; in hc2cbdft_32() 845 Rm[WS(rs, 3)] = T8I + T94; in hc2cbdft_32() 1589 E T8g, T8H, T8d, T8I, T8b, T8c; in hc2cbdft_32() local 1595 T8I = T8b - T8c; in hc2cbdft_32() 1597 T8X = T8H - T8I; in hc2cbdft_32() 1599 T8J = T8H + T8I; in hc2cbdft_32()
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H A D | hc2cbdft2_32.c | 837 E T8I, T96, T94, T98, T8W; in hc2cbdft2_32() local 838 T8I = FNMS(T8A, T8H, T8z); in hc2cbdft2_32() 843 Rp[WS(rs, 3)] = T8I - T94; in hc2cbdft2_32() 845 Rm[WS(rs, 3)] = T8I + T94; in hc2cbdft2_32() 1589 E T8g, T8H, T8d, T8I, T8b, T8c; in hc2cbdft2_32() local 1595 T8I = T8b - T8c; in hc2cbdft2_32() 1597 T8X = T8H - T8I; in hc2cbdft2_32() 1599 T8J = T8H + T8I; in hc2cbdft2_32()
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/dports/math/fftw3-quad/fftw-3.3.9/rdft/scalar/r2cf/ |
H A D | hc2cfdft_32.c | 937 E T8D, T8E, T8F, T8I; in hc2cfdft_32() local 943 T8I = T8G - T8H; in hc2cfdft_32() 944 Ip[WS(rs, 9)] = KP500000000 * (FMA(KP980785280, T8I, T8F)); in hc2cfdft_32() 945 Im[WS(rs, 6)] = -(KP500000000 * (FNMS(KP980785280, T8I, T8F))); in hc2cfdft_32() 1925 E T8f, T8u, T8H, T8I; in hc2cfdft_32() local 1931 T8I = T8E + T8F; in hc2cfdft_32() 1932 Rm[WS(rs, 12)] = T8H - T8I; in hc2cfdft_32() 1933 Rp[WS(rs, 3)] = T8H + T8I; in hc2cfdft_32()
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H A D | hc2cfdft2_32.c | 836 E Tao, T8I, T9A, T9g, T9q, T9O, Tau, Taa, Tak, T9W, Taz, Taf, Tar, T91, T9B; in hc2cfdft2_32() local 913 T8I = FMA(KP198912367, T8H, T8A); in hc2cfdft2_32() 975 T92 = T8I + T91; in hc2cfdft2_32() 986 T9e = T91 - T8I; in hc2cfdft2_32() 1231 E T5n, T6d, T7b, T8J, T7z, T8R, T78, T8I; in hc2cfdft2_32() local 1667 T8I = T76 + T77; in hc2cfdft2_32() 1949 T8K = FMA(KP191341716, T8I, KP461939766 * T8J); in hc2cfdft2_32() 1959 T99 = FNMS(KP461939766, T8I, KP191341716 * T8J); in hc2cfdft2_32()
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/dports/math/fftw3/fftw-3.3.9/dft/scalar/codelets/ |
H A D | q1_8.c | 46 E T3X, T4a, T3S, T7H, T8N, T93, T7U, T8d, T8v, T8I, T8q, T9d, Taj, Taz, T9q; in q1_8() local 281 T8I = T8G - T8H; in q1_8() 877 T8U = T8J + T8I; in q1_8() 1031 T8K = T8I - T8J; in q1_8() 1328 E T7N, T8i, T83, T8I, T7Q, T80, T8l, T8J; in q1_8() local 1338 T8I = T81 + T82; in q1_8() 1353 T90 = T8I + T8J; in q1_8() 1357 T8K = T8I - T8J; in q1_8()
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H A D | n1_64.c | 58 E T8G, Tu, TdI, Tak, TbC, Tan, TbD, T2x, Tda, T3m, T65, T7G, T8I, T7J, T8J; in n1_64() local 229 T8I = FNMS(KP414213562, T7E, T7F); in n1_64() 1277 T9i = T8I - T8J; in n1_64() 1487 T8K = T8I + T8J; in n1_64() 1588 E T8G, Tu, TdI, Tak, TbD, Tan, TbC, T2x, Tda, T3m, T65, T7G, T8J, T7J, T8I; in n1_64() local 1766 T8I = FNMS(KP382683432, T7H, KP923879532 * T7I); in n1_64() 2807 T9i = T8J + T8I; in n1_64() 3017 T8K = T8I - T8J; in n1_64()
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/dports/math/fftw3-long/fftw-3.3.9/dft/scalar/codelets/ |
H A D | q1_8.c | 46 E T3X, T4a, T3S, T7H, T8N, T93, T7U, T8d, T8v, T8I, T8q, T9d, Taj, Taz, T9q; in q1_8() local 281 T8I = T8G - T8H; in q1_8() 877 T8U = T8J + T8I; in q1_8() 1031 T8K = T8I - T8J; in q1_8() 1328 E T7N, T8i, T83, T8I, T7Q, T80, T8l, T8J; in q1_8() local 1338 T8I = T81 + T82; in q1_8() 1353 T90 = T8I + T8J; in q1_8() 1357 T8K = T8I - T8J; in q1_8()
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H A D | n1_64.c | 58 E T8G, Tu, TdI, Tak, TbC, Tan, TbD, T2x, Tda, T3m, T65, T7G, T8I, T7J, T8J; in n1_64() local 229 T8I = FNMS(KP414213562, T7E, T7F); in n1_64() 1277 T9i = T8I - T8J; in n1_64() 1487 T8K = T8I + T8J; in n1_64() 1588 E T8G, Tu, TdI, Tak, TbD, Tan, TbC, T2x, Tda, T3m, T65, T7G, T8J, T7J, T8I; in n1_64() local 1766 T8I = FNMS(KP382683432, T7H, KP923879532 * T7I); in n1_64() 2807 T9i = T8J + T8I; in n1_64() 3017 T8K = T8I - T8J; in n1_64()
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/dports/math/fftw3-float/fftw-3.3.9/dft/scalar/codelets/ |
H A D | q1_8.c | 46 E T3X, T4a, T3S, T7H, T8N, T93, T7U, T8d, T8v, T8I, T8q, T9d, Taj, Taz, T9q; in q1_8() local 281 T8I = T8G - T8H; in q1_8() 877 T8U = T8J + T8I; in q1_8() 1031 T8K = T8I - T8J; in q1_8() 1328 E T7N, T8i, T83, T8I, T7Q, T80, T8l, T8J; in q1_8() local 1338 T8I = T81 + T82; in q1_8() 1353 T90 = T8I + T8J; in q1_8() 1357 T8K = T8I - T8J; in q1_8()
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/dports/math/fftw3-quad/fftw-3.3.9/dft/scalar/codelets/ |
H A D | q1_8.c | 46 E T3X, T4a, T3S, T7H, T8N, T93, T7U, T8d, T8v, T8I, T8q, T9d, Taj, Taz, T9q; in q1_8() local 281 T8I = T8G - T8H; in q1_8() 877 T8U = T8J + T8I; in q1_8() 1031 T8K = T8I - T8J; in q1_8() 1328 E T7N, T8i, T83, T8I, T7Q, T80, T8l, T8J; in q1_8() local 1338 T8I = T81 + T82; in q1_8() 1353 T90 = T8I + T8J; in q1_8() 1357 T8K = T8I - T8J; in q1_8()
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