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/dports/science/openbabel/openbabel-3.1.1/test/pdb_ligands_sdf/
H A D3t3y_md6.sdf3 Coordinates from PDB:3T3Y:A:401 Model:1 without hydrogens
69 3T3Y
/dports/math/fftw3/fftw-3.3.9/rdft/scalar/r2cf/
H A Dhc2cfdft2_16.c406 E T3K, T3N, T3X, T3Y; in hc2cfdft2_16() local
412 T3Y = T17 - T1h; in hc2cfdft2_16()
413 T3Z = T3X + T3Y; in hc2cfdft2_16()
414 T4l = T3X - T3Y; in hc2cfdft2_16()
897 E T3R, T3Y, T47, T48; in hc2cfdft2_16() local
899 T3Y = T3U + T3X; in hc2cfdft2_16()
900 Ip[WS(rs, 3)] = T3R + T3Y; in hc2cfdft2_16()
901 Im[WS(rs, 4)] = T3Y - T3R; in hc2cfdft2_16()
H A Dhc2cf_20.c277 E T1s, T1F, T3Y, T3Z; in hc2cf_20() local
282 T3Y = T36 + T38; in hc2cf_20()
284 T40 = T3Y + T3Z; in hc2cf_20()
285 T4c = T3Z - T3Y; in hc2cf_20()
952 E T3U, T3L, T3V, T3T, T3X, T3R, T3S, T3Y, T3W; in hc2cf_20() local
961 T3Y = T3V - T3U; in hc2cf_20()
962 Im[WS(rs, 7)] = T3X - T3Y; in hc2cf_20()
963 Ip[WS(rs, 8)] = T3X + T3Y; in hc2cf_20()
H A Dhf_20.c346 E T10, T1d, T3Y, T3Z; in hf_20() local
351 T3Y = T2y + T2A; in hf_20()
353 T40 = T3Y - T3Z; in hf_20()
354 T4c = T3Z + T3Y; in hf_20()
969 E T3U, T3L, T3V, T3T, T3X, T3R, T3S, T3Y, T3W; in hf_20() local
978 T3Y = T3V - T3U; in hf_20()
979 cr[WS(rs, 18)] = T3X - T3Y; in hf_20()
980 ci[WS(rs, 17)] = T3X + T3Y; in hf_20()
/dports/math/fftw3-long/fftw-3.3.9/rdft/scalar/r2cf/
H A Dhc2cfdft2_16.c406 E T3K, T3N, T3X, T3Y; in hc2cfdft2_16() local
412 T3Y = T17 - T1h; in hc2cfdft2_16()
413 T3Z = T3X + T3Y; in hc2cfdft2_16()
414 T4l = T3X - T3Y; in hc2cfdft2_16()
897 E T3R, T3Y, T47, T48; in hc2cfdft2_16() local
899 T3Y = T3U + T3X; in hc2cfdft2_16()
900 Ip[WS(rs, 3)] = T3R + T3Y; in hc2cfdft2_16()
901 Im[WS(rs, 4)] = T3Y - T3R; in hc2cfdft2_16()
H A Dhc2cf_20.c277 E T1s, T1F, T3Y, T3Z; in hc2cf_20() local
282 T3Y = T36 + T38; in hc2cf_20()
284 T40 = T3Y + T3Z; in hc2cf_20()
285 T4c = T3Z - T3Y; in hc2cf_20()
952 E T3U, T3L, T3V, T3T, T3X, T3R, T3S, T3Y, T3W; in hc2cf_20() local
961 T3Y = T3V - T3U; in hc2cf_20()
962 Im[WS(rs, 7)] = T3X - T3Y; in hc2cf_20()
963 Ip[WS(rs, 8)] = T3X + T3Y; in hc2cf_20()
H A Dhf_20.c346 E T10, T1d, T3Y, T3Z; in hf_20() local
351 T3Y = T2y + T2A; in hf_20()
353 T40 = T3Y - T3Z; in hf_20()
354 T4c = T3Z + T3Y; in hf_20()
969 E T3U, T3L, T3V, T3T, T3X, T3R, T3S, T3Y, T3W; in hf_20() local
978 T3Y = T3V - T3U; in hf_20()
979 cr[WS(rs, 18)] = T3X - T3Y; in hf_20()
980 ci[WS(rs, 17)] = T3X + T3Y; in hf_20()
/dports/math/fftw3-float/fftw-3.3.9/rdft/scalar/r2cf/
H A Dhc2cfdft2_16.c406 E T3K, T3N, T3X, T3Y; in hc2cfdft2_16() local
412 T3Y = T17 - T1h; in hc2cfdft2_16()
413 T3Z = T3X + T3Y; in hc2cfdft2_16()
414 T4l = T3X - T3Y; in hc2cfdft2_16()
897 E T3R, T3Y, T47, T48; in hc2cfdft2_16() local
899 T3Y = T3U + T3X; in hc2cfdft2_16()
900 Ip[WS(rs, 3)] = T3R + T3Y; in hc2cfdft2_16()
901 Im[WS(rs, 4)] = T3Y - T3R; in hc2cfdft2_16()
H A Dhc2cf_20.c277 E T1s, T1F, T3Y, T3Z; in hc2cf_20() local
282 T3Y = T36 + T38; in hc2cf_20()
284 T40 = T3Y + T3Z; in hc2cf_20()
285 T4c = T3Z - T3Y; in hc2cf_20()
952 E T3U, T3L, T3V, T3T, T3X, T3R, T3S, T3Y, T3W; in hc2cf_20() local
961 T3Y = T3V - T3U; in hc2cf_20()
962 Im[WS(rs, 7)] = T3X - T3Y; in hc2cf_20()
963 Ip[WS(rs, 8)] = T3X + T3Y; in hc2cf_20()
H A Dhf_20.c346 E T10, T1d, T3Y, T3Z; in hf_20() local
351 T3Y = T2y + T2A; in hf_20()
353 T40 = T3Y - T3Z; in hf_20()
354 T4c = T3Z + T3Y; in hf_20()
969 E T3U, T3L, T3V, T3T, T3X, T3R, T3S, T3Y, T3W; in hf_20() local
978 T3Y = T3V - T3U; in hf_20()
979 cr[WS(rs, 18)] = T3X - T3Y; in hf_20()
980 ci[WS(rs, 17)] = T3X + T3Y; in hf_20()
/dports/math/fftw3-quad/fftw-3.3.9/rdft/scalar/r2cf/
H A Dhc2cfdft2_16.c406 E T3K, T3N, T3X, T3Y; in hc2cfdft2_16() local
412 T3Y = T17 - T1h; in hc2cfdft2_16()
413 T3Z = T3X + T3Y; in hc2cfdft2_16()
414 T4l = T3X - T3Y; in hc2cfdft2_16()
897 E T3R, T3Y, T47, T48; in hc2cfdft2_16() local
899 T3Y = T3U + T3X; in hc2cfdft2_16()
900 Ip[WS(rs, 3)] = T3R + T3Y; in hc2cfdft2_16()
901 Im[WS(rs, 4)] = T3Y - T3R; in hc2cfdft2_16()
H A Dhc2cf_20.c277 E T1s, T1F, T3Y, T3Z; in hc2cf_20() local
282 T3Y = T36 + T38; in hc2cf_20()
284 T40 = T3Y + T3Z; in hc2cf_20()
285 T4c = T3Z - T3Y; in hc2cf_20()
952 E T3U, T3L, T3V, T3T, T3X, T3R, T3S, T3Y, T3W; in hc2cf_20() local
961 T3Y = T3V - T3U; in hc2cf_20()
962 Im[WS(rs, 7)] = T3X - T3Y; in hc2cf_20()
963 Ip[WS(rs, 8)] = T3X + T3Y; in hc2cf_20()
/dports/biology/molden/molden5.8/plush/
H A DT3Y1 mol="T3Y" Charge="0"
/dports/math/fftw3/fftw-3.3.9/rdft/scalar/r2cb/
H A Dhb_20.c324 E T3I, T3Y, T3F, T3X, T3D; in hb_20() local
326 T3Y = FMA(KP618033988, T3G, T3H); in hb_20()
331 T45 = FNMS(KP951056516, T3Y, T3X); in hb_20()
333 T3Z = FMA(KP951056516, T3Y, T3X); in hb_20()
630 E T25, Tl, T3N, T3Y, TG, T12, T2H, T2Z, T22, Tt, T3P, T40, TI, T1a, T2L; in hb_20() local
724 T3Y = T2F - T2G; in hb_20()
774 T3Z = T3X - T3Y; in hb_20()
786 T46 = T3X + T3Y; in hb_20()
H A Dhc2cb_20.c324 E T3I, T3Y, T3F, T3X, T3D; in hc2cb_20() local
326 T3Y = FMA(KP618033988, T3G, T3H); in hc2cb_20()
331 T45 = FNMS(KP951056516, T3Y, T3X); in hc2cb_20()
333 T3Z = FMA(KP951056516, T3Y, T3X); in hc2cb_20()
630 E T25, Tl, T3N, T3Y, TG, T12, T2H, T2Z, T22, Tt, T3P, T40, TI, T1a, T2L; in hc2cb_20() local
724 T3Y = T2F - T2G; in hc2cb_20()
774 T3Z = T3X - T3Y; in hc2cb_20()
786 T46 = T3X + T3Y; in hc2cb_20()
/dports/math/fftw3-long/fftw-3.3.9/dft/scalar/codelets/
H A Dt1_20.c139 E Tz, TM, T3Y, T3Z; in t1_20() local
144 T3Y = T3d + T3f; in t1_20()
146 T40 = T3Y - T3Z; in t1_20()
147 T4b = T3Y + T3Z; in t1_20()
952 E T3U, T3L, T3V, T3T, T3Y, T3R, T3S, T3X, T3W; in t1_20() local
959 T3Y = FNMS(KP587785252, T3R, KP951056516 * T3S); in t1_20()
962 ii[WS(rs, 8)] = T3X - T3Y; in t1_20()
963 ii[WS(rs, 12)] = T3Y + T3X; in t1_20()
/dports/math/fftw3/fftw-3.3.9/dft/scalar/codelets/
H A Dt1_20.c139 E Tz, TM, T3Y, T3Z; in t1_20() local
144 T3Y = T3d + T3f; in t1_20()
146 T40 = T3Y - T3Z; in t1_20()
147 T4b = T3Y + T3Z; in t1_20()
952 E T3U, T3L, T3V, T3T, T3Y, T3R, T3S, T3X, T3W; in t1_20() local
959 T3Y = FNMS(KP587785252, T3R, KP951056516 * T3S); in t1_20()
962 ii[WS(rs, 8)] = T3X - T3Y; in t1_20()
963 ii[WS(rs, 12)] = T3Y + T3X; in t1_20()
/dports/math/fftw3-float/fftw-3.3.9/dft/scalar/codelets/
H A Dt1_20.c139 E Tz, TM, T3Y, T3Z; in t1_20() local
144 T3Y = T3d + T3f; in t1_20()
146 T40 = T3Y - T3Z; in t1_20()
147 T4b = T3Y + T3Z; in t1_20()
952 E T3U, T3L, T3V, T3T, T3Y, T3R, T3S, T3X, T3W; in t1_20() local
959 T3Y = FNMS(KP587785252, T3R, KP951056516 * T3S); in t1_20()
962 ii[WS(rs, 8)] = T3X - T3Y; in t1_20()
963 ii[WS(rs, 12)] = T3Y + T3X; in t1_20()
/dports/math/fftw3-float/fftw-3.3.9/rdft/scalar/r2cb/
H A Dhb_20.c324 E T3I, T3Y, T3F, T3X, T3D; in hb_20() local
326 T3Y = FMA(KP618033988, T3G, T3H); in hb_20()
331 T45 = FNMS(KP951056516, T3Y, T3X); in hb_20()
333 T3Z = FMA(KP951056516, T3Y, T3X); in hb_20()
630 E T25, Tl, T3N, T3Y, TG, T12, T2H, T2Z, T22, Tt, T3P, T40, TI, T1a, T2L; in hb_20() local
724 T3Y = T2F - T2G; in hb_20()
774 T3Z = T3X - T3Y; in hb_20()
786 T46 = T3X + T3Y; in hb_20()
H A Dhc2cb_20.c324 E T3I, T3Y, T3F, T3X, T3D; in hc2cb_20() local
326 T3Y = FMA(KP618033988, T3G, T3H); in hc2cb_20()
331 T45 = FNMS(KP951056516, T3Y, T3X); in hc2cb_20()
333 T3Z = FMA(KP951056516, T3Y, T3X); in hc2cb_20()
630 E T25, Tl, T3N, T3Y, TG, T12, T2H, T2Z, T22, Tt, T3P, T40, TI, T1a, T2L; in hc2cb_20() local
724 T3Y = T2F - T2G; in hc2cb_20()
774 T3Z = T3X - T3Y; in hc2cb_20()
786 T46 = T3X + T3Y; in hc2cb_20()
/dports/math/fftw3-quad/fftw-3.3.9/dft/scalar/codelets/
H A Dt1_20.c139 E Tz, TM, T3Y, T3Z; in t1_20() local
144 T3Y = T3d + T3f; in t1_20()
146 T40 = T3Y - T3Z; in t1_20()
147 T4b = T3Y + T3Z; in t1_20()
952 E T3U, T3L, T3V, T3T, T3Y, T3R, T3S, T3X, T3W; in t1_20() local
959 T3Y = FNMS(KP587785252, T3R, KP951056516 * T3S); in t1_20()
962 ii[WS(rs, 8)] = T3X - T3Y; in t1_20()
963 ii[WS(rs, 12)] = T3Y + T3X; in t1_20()
/dports/math/fftw3-long/fftw-3.3.9/rdft/scalar/r2cb/
H A Dhc2cb_20.c324 E T3I, T3Y, T3F, T3X, T3D; in hc2cb_20() local
326 T3Y = FMA(KP618033988, T3G, T3H); in hc2cb_20()
331 T45 = FNMS(KP951056516, T3Y, T3X); in hc2cb_20()
333 T3Z = FMA(KP951056516, T3Y, T3X); in hc2cb_20()
630 E T25, Tl, T3N, T3Y, TG, T12, T2H, T2Z, T22, Tt, T3P, T40, TI, T1a, T2L; in hc2cb_20() local
724 T3Y = T2F - T2G; in hc2cb_20()
774 T3Z = T3X - T3Y; in hc2cb_20()
786 T46 = T3X + T3Y; in hc2cb_20()
H A Dhb_20.c324 E T3I, T3Y, T3F, T3X, T3D; in hb_20() local
326 T3Y = FMA(KP618033988, T3G, T3H); in hb_20()
331 T45 = FNMS(KP951056516, T3Y, T3X); in hb_20()
333 T3Z = FMA(KP951056516, T3Y, T3X); in hb_20()
630 E T25, Tl, T3N, T3Y, TG, T12, T2H, T2Z, T22, Tt, T3P, T40, TI, T1a, T2L; in hb_20() local
724 T3Y = T2F - T2G; in hb_20()
774 T3Z = T3X - T3Y; in hb_20()
786 T46 = T3X + T3Y; in hb_20()
/dports/math/fftw3-quad/fftw-3.3.9/rdft/scalar/r2cb/
H A Dhb_20.c324 E T3I, T3Y, T3F, T3X, T3D; in hb_20() local
326 T3Y = FMA(KP618033988, T3G, T3H); in hb_20()
331 T45 = FNMS(KP951056516, T3Y, T3X); in hb_20()
333 T3Z = FMA(KP951056516, T3Y, T3X); in hb_20()
630 E T25, Tl, T3N, T3Y, TG, T12, T2H, T2Z, T22, Tt, T3P, T40, TI, T1a, T2L; in hb_20() local
724 T3Y = T2F - T2G; in hb_20()
774 T3Z = T3X - T3Y; in hb_20()
786 T46 = T3X + T3Y; in hb_20()
H A Dhc2cb_20.c324 E T3I, T3Y, T3F, T3X, T3D; in hc2cb_20() local
326 T3Y = FMA(KP618033988, T3G, T3H); in hc2cb_20()
331 T45 = FNMS(KP951056516, T3Y, T3X); in hc2cb_20()
333 T3Z = FMA(KP951056516, T3Y, T3X); in hc2cb_20()
630 E T25, Tl, T3N, T3Y, TG, T12, T2H, T2Z, T22, Tt, T3P, T40, TI, T1a, T2L; in hc2cb_20() local
724 T3Y = T2F - T2G; in hc2cb_20()
774 T3Z = T3X - T3Y; in hc2cb_20()
786 T46 = T3X + T3Y; in hc2cb_20()

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