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/dports/science/openbabel/openbabel-3.1.1/test/pdb_ligands_sdf/
H A D5t2y_753.sdf3 Coordinates from PDB:5T2Y:A:201 Model:1 without hydrogens
107 5T2Y
/dports/math/fftw3/fftw-3.3.9/rdft/scalar/r2cf/
H A Dhc2cf_16.c281 E T2Y, T3a, T3v, T3x, T33, T3b, T38, T3c; in hc2cf_16() local
286 T2Y = T2U + T2X; in hc2cf_16()
307 Rm[WS(rs, 5)] = FNMS(KP707106781, T39, T2Y); in hc2cf_16()
308 Rp[WS(rs, 2)] = FMA(KP707106781, T39, T2Y); in hc2cf_16()
750 E TH, T2L, T2W, T2Y, T1s, T2X, T2O, T2P; in hc2cf_16() local
760 T2Y = T2V - T2Q; in hc2cf_16()
778 Im[WS(rs, 3)] = T2X - T2Y; in hc2cf_16()
780 Ip[WS(rs, 4)] = T2X + T2Y; in hc2cf_16()
H A Dhf_16.c281 E T2Y, T3a, T3v, T3x, T33, T3b, T38, T3c; in hf_16() local
286 T2Y = T2U - T2X; in hf_16()
307 ci[WS(rs, 5)] = FNMS(KP707106781, T39, T2Y); in hf_16()
308 cr[WS(rs, 2)] = FMA(KP707106781, T39, T2Y); in hf_16()
684 E TH, T2L, T2W, T2Y, T1s, T2X, T2O, T2P; in hf_16() local
694 T2Y = T2V - T2Q; in hf_16()
708 cr[WS(rs, 12)] = T2X - T2Y; in hf_16()
709 ci[WS(rs, 11)] = T2X + T2Y; in hf_16()
H A Dhc2cf2_16.c355 E T2Y, T2Z, T2R, T2S; in hc2cf2_16() local
356 T2Y = T2D + T2I; in hc2cf2_16()
358 T30 = FNMS(KP414213562, T2Z, T2Y); in hc2cf2_16()
359 T34 = FMA(KP414213562, T2Y, T2Z); in hc2cf2_16()
529 E T2x, T1B, T1K, T2V, T2W, T2X, T2Y, T2j, T2D, T2o, T2E, T18, T1n, T2Q, T2R; in hc2cf2_16() local
631 T2Y = T2W - T2X; in hc2cf2_16()
735 T2Z = T2V - T2Y; in hc2cf2_16()
739 T33 = T2V + T2Y; in hc2cf2_16()
/dports/math/fftw3-long/fftw-3.3.9/dft/scalar/codelets/
H A Dn1_20.c245 E T2S, T2Q, T2R, T2W, T2Y, T2U, T2V, T2X, T2T; in n1_20() local
252 T2Y = FMA(KP618033988, T2U, T2V); in n1_20()
255 io[WS(os, 6)] = FNMS(KP951056516, T2Y, T2X); in n1_20()
256 io[WS(os, 14)] = FMA(KP951056516, T2Y, T2X); in n1_20()
591 E T2V, T2T, T2U, T2N, T2Y, T2L, T2M, T2X, T2W; in n1_20() local
598 T2Y = FMA(KP951056516, T2M, KP587785252 * T2L); in n1_20()
601 io[WS(os, 6)] = T2X - T2Y; in n1_20()
602 io[WS(os, 14)] = T2Y + T2X; in n1_20()
H A Dt1_16.c281 E T2Y, T3a, T3v, T3x, T33, T3b, T38, T3c; in t1_16() local
286 T2Y = T2U + T2X; in t1_16()
307 ri[WS(rs, 10)] = FNMS(KP707106781, T39, T2Y); in t1_16()
308 ri[WS(rs, 2)] = FMA(KP707106781, T39, T2Y); in t1_16()
750 E TH, T2L, T2W, T2Y, T1s, T2X, T2O, T2P; in t1_16() local
760 T2Y = T2V - T2Q; in t1_16()
778 ii[WS(rs, 12)] = T2Y - T2X; in t1_16()
780 ii[WS(rs, 4)] = T2X + T2Y; in t1_16()
/dports/math/fftw3-float/fftw-3.3.9/rdft/scalar/r2cf/
H A Dhf_16.c281 E T2Y, T3a, T3v, T3x, T33, T3b, T38, T3c; in hf_16() local
286 T2Y = T2U - T2X; in hf_16()
307 ci[WS(rs, 5)] = FNMS(KP707106781, T39, T2Y); in hf_16()
308 cr[WS(rs, 2)] = FMA(KP707106781, T39, T2Y); in hf_16()
684 E TH, T2L, T2W, T2Y, T1s, T2X, T2O, T2P; in hf_16() local
694 T2Y = T2V - T2Q; in hf_16()
708 cr[WS(rs, 12)] = T2X - T2Y; in hf_16()
709 ci[WS(rs, 11)] = T2X + T2Y; in hf_16()
H A Dhc2cf_16.c281 E T2Y, T3a, T3v, T3x, T33, T3b, T38, T3c; in hc2cf_16() local
286 T2Y = T2U + T2X; in hc2cf_16()
307 Rm[WS(rs, 5)] = FNMS(KP707106781, T39, T2Y); in hc2cf_16()
308 Rp[WS(rs, 2)] = FMA(KP707106781, T39, T2Y); in hc2cf_16()
750 E TH, T2L, T2W, T2Y, T1s, T2X, T2O, T2P; in hc2cf_16() local
760 T2Y = T2V - T2Q; in hc2cf_16()
778 Im[WS(rs, 3)] = T2X - T2Y; in hc2cf_16()
780 Ip[WS(rs, 4)] = T2X + T2Y; in hc2cf_16()
H A Dhf2_16.c355 E T2Y, T2Z, T2R, T2S; in hf2_16() local
356 T2Y = T2w + T2B; in hf2_16()
358 T30 = FNMS(KP414213562, T2Z, T2Y); in hf2_16()
359 T33 = FMA(KP414213562, T2Y, T2Z); in hf2_16()
529 E T2x, T1B, T1K, T2V, T2W, T2X, T2Y, T2j, T2E, T2o, T2D, T18, T1n, T2Q, T2R; in hf2_16() local
631 T2Y = T2W - T2X; in hf2_16()
801 T2Z = T2V - T2Y; in hf2_16()
805 T33 = T2V + T2Y; in hf2_16()
H A Dhf_15.c48 E T1, T3i, T1G, T3l, Te, T1B, T3j, T3k, T1y, T2i, T2a, T2M, T37, T2Y, Tz; in hf_15() local
132 T2Y = FMA(KP866025403, T2L, T2K); in hf_15()
316 T2Z = T2X - T2Y; in hf_15()
413 T3x = T2X + T2Y; in hf_15()
757 E T2X, T31, T2U, T2P, T2Y, T2Z, T32, T30; in hf_15() local
768 T2Y = FMA(KP250000000, T2P, T2U); in hf_15()
772 T32 = T2Z + T2Y; in hf_15()
775 T30 = T2Y - T2Z; in hf_15()
/dports/math/fftw3-float/fftw-3.3.9/dft/scalar/codelets/
H A Dt1_16.c281 E T2Y, T3a, T3v, T3x, T33, T3b, T38, T3c; in t1_16() local
286 T2Y = T2U + T2X; in t1_16()
307 ri[WS(rs, 10)] = FNMS(KP707106781, T39, T2Y); in t1_16()
308 ri[WS(rs, 2)] = FMA(KP707106781, T39, T2Y); in t1_16()
750 E TH, T2L, T2W, T2Y, T1s, T2X, T2O, T2P; in t1_16() local
760 T2Y = T2V - T2Q; in t1_16()
778 ii[WS(rs, 12)] = T2Y - T2X; in t1_16()
780 ii[WS(rs, 4)] = T2X + T2Y; in t1_16()
H A Dn1_20.c245 E T2S, T2Q, T2R, T2W, T2Y, T2U, T2V, T2X, T2T; in n1_20() local
252 T2Y = FMA(KP618033988, T2U, T2V); in n1_20()
255 io[WS(os, 6)] = FNMS(KP951056516, T2Y, T2X); in n1_20()
256 io[WS(os, 14)] = FMA(KP951056516, T2Y, T2X); in n1_20()
591 E T2V, T2T, T2U, T2N, T2Y, T2L, T2M, T2X, T2W; in n1_20() local
598 T2Y = FMA(KP951056516, T2M, KP587785252 * T2L); in n1_20()
601 io[WS(os, 6)] = T2X - T2Y; in n1_20()
602 io[WS(os, 14)] = T2Y + T2X; in n1_20()
/dports/math/fftw3-quad/fftw-3.3.9/dft/scalar/codelets/
H A Dt1_16.c281 E T2Y, T3a, T3v, T3x, T33, T3b, T38, T3c; in t1_16() local
286 T2Y = T2U + T2X; in t1_16()
307 ri[WS(rs, 10)] = FNMS(KP707106781, T39, T2Y); in t1_16()
308 ri[WS(rs, 2)] = FMA(KP707106781, T39, T2Y); in t1_16()
750 E TH, T2L, T2W, T2Y, T1s, T2X, T2O, T2P; in t1_16() local
760 T2Y = T2V - T2Q; in t1_16()
778 ii[WS(rs, 12)] = T2Y - T2X; in t1_16()
780 ii[WS(rs, 4)] = T2X + T2Y; in t1_16()
H A Dn1_20.c245 E T2S, T2Q, T2R, T2W, T2Y, T2U, T2V, T2X, T2T; in n1_20() local
252 T2Y = FMA(KP618033988, T2U, T2V); in n1_20()
255 io[WS(os, 6)] = FNMS(KP951056516, T2Y, T2X); in n1_20()
256 io[WS(os, 14)] = FMA(KP951056516, T2Y, T2X); in n1_20()
591 E T2V, T2T, T2U, T2N, T2Y, T2L, T2M, T2X, T2W; in n1_20() local
598 T2Y = FMA(KP951056516, T2M, KP587785252 * T2L); in n1_20()
601 io[WS(os, 6)] = T2X - T2Y; in n1_20()
602 io[WS(os, 14)] = T2Y + T2X; in n1_20()
/dports/math/fftw3-long/fftw-3.3.9/rdft/scalar/r2cf/
H A Dhc2cf_16.c281 E T2Y, T3a, T3v, T3x, T33, T3b, T38, T3c; in hc2cf_16() local
286 T2Y = T2U + T2X; in hc2cf_16()
307 Rm[WS(rs, 5)] = FNMS(KP707106781, T39, T2Y); in hc2cf_16()
308 Rp[WS(rs, 2)] = FMA(KP707106781, T39, T2Y); in hc2cf_16()
750 E TH, T2L, T2W, T2Y, T1s, T2X, T2O, T2P; in hc2cf_16() local
760 T2Y = T2V - T2Q; in hc2cf_16()
778 Im[WS(rs, 3)] = T2X - T2Y; in hc2cf_16()
780 Ip[WS(rs, 4)] = T2X + T2Y; in hc2cf_16()
H A Dhf_16.c281 E T2Y, T3a, T3v, T3x, T33, T3b, T38, T3c; in hf_16() local
286 T2Y = T2U - T2X; in hf_16()
307 ci[WS(rs, 5)] = FNMS(KP707106781, T39, T2Y); in hf_16()
308 cr[WS(rs, 2)] = FMA(KP707106781, T39, T2Y); in hf_16()
684 E TH, T2L, T2W, T2Y, T1s, T2X, T2O, T2P; in hf_16() local
694 T2Y = T2V - T2Q; in hf_16()
708 cr[WS(rs, 12)] = T2X - T2Y; in hf_16()
709 ci[WS(rs, 11)] = T2X + T2Y; in hf_16()
/dports/math/fftw3/fftw-3.3.9/dft/scalar/codelets/
H A Dn1_20.c245 E T2S, T2Q, T2R, T2W, T2Y, T2U, T2V, T2X, T2T; in n1_20() local
252 T2Y = FMA(KP618033988, T2U, T2V); in n1_20()
255 io[WS(os, 6)] = FNMS(KP951056516, T2Y, T2X); in n1_20()
256 io[WS(os, 14)] = FMA(KP951056516, T2Y, T2X); in n1_20()
591 E T2V, T2T, T2U, T2N, T2Y, T2L, T2M, T2X, T2W; in n1_20() local
598 T2Y = FMA(KP951056516, T2M, KP587785252 * T2L); in n1_20()
601 io[WS(os, 6)] = T2X - T2Y; in n1_20()
602 io[WS(os, 14)] = T2Y + T2X; in n1_20()
H A Dt1_16.c281 E T2Y, T3a, T3v, T3x, T33, T3b, T38, T3c; in t1_16() local
286 T2Y = T2U + T2X; in t1_16()
307 ri[WS(rs, 10)] = FNMS(KP707106781, T39, T2Y); in t1_16()
308 ri[WS(rs, 2)] = FMA(KP707106781, T39, T2Y); in t1_16()
750 E TH, T2L, T2W, T2Y, T1s, T2X, T2O, T2P; in t1_16() local
760 T2Y = T2V - T2Q; in t1_16()
778 ii[WS(rs, 12)] = T2Y - T2X; in t1_16()
780 ii[WS(rs, 4)] = T2X + T2Y; in t1_16()
H A Dt1_15.c49 E T2e, T1O, T2t, T39, T2X, TT, T2f, T1V, T2z, T3a, T2Y, T1e, T2h, T23, T2G; in t1_15() local
234 T2Y = FNMS(KP866025403, T2y, T2x); in t1_15()
339 T2Z = T2X - T2Y; in t1_15()
366 T3I = T2X + T2Y; in t1_15()
694 E T2U, T2P, T2T, T2Y, T30, T2W, T2X, T2Z, T2V; in t1_15() local
700 T2Y = FNMS(KP587785252, T2X, KP951056516 * T2W); in t1_15()
707 ii[WS(rs, 3)] = T2V - T2Y; in t1_15()
708 ii[WS(rs, 12)] = T2Y + T2V; in t1_15()
H A Dt2_16.c355 E T2Y, T2Z, T2R, T2S; in t2_16() local
356 T2Y = T2D + T2I; in t2_16()
358 T30 = FNMS(KP414213562, T2Z, T2Y); in t2_16()
359 T34 = FMA(KP414213562, T2Y, T2Z); in t2_16()
529 E T2x, T1B, T1K, T2V, T2W, T2X, T2Y, T2j, T2D, T2o, T2E, T18, T1n, T2Q, T2R; in t2_16() local
631 T2Y = T2W - T2X; in t2_16()
735 T2Z = T2V - T2Y; in t2_16()
739 T33 = T2V + T2Y; in t2_16()
/dports/math/fftw3-quad/fftw-3.3.9/rdft/scalar/r2cf/
H A Dhc2cf_16.c281 E T2Y, T3a, T3v, T3x, T33, T3b, T38, T3c; in hc2cf_16() local
286 T2Y = T2U + T2X; in hc2cf_16()
307 Rm[WS(rs, 5)] = FNMS(KP707106781, T39, T2Y); in hc2cf_16()
308 Rp[WS(rs, 2)] = FMA(KP707106781, T39, T2Y); in hc2cf_16()
750 E TH, T2L, T2W, T2Y, T1s, T2X, T2O, T2P; in hc2cf_16() local
760 T2Y = T2V - T2Q; in hc2cf_16()
778 Im[WS(rs, 3)] = T2X - T2Y; in hc2cf_16()
780 Ip[WS(rs, 4)] = T2X + T2Y; in hc2cf_16()
H A Dhf_16.c281 E T2Y, T3a, T3v, T3x, T33, T3b, T38, T3c; in hf_16() local
286 T2Y = T2U - T2X; in hf_16()
307 ci[WS(rs, 5)] = FNMS(KP707106781, T39, T2Y); in hf_16()
308 cr[WS(rs, 2)] = FMA(KP707106781, T39, T2Y); in hf_16()
684 E TH, T2L, T2W, T2Y, T1s, T2X, T2O, T2P; in hf_16() local
694 T2Y = T2V - T2Q; in hf_16()
708 cr[WS(rs, 12)] = T2X - T2Y; in hf_16()
709 ci[WS(rs, 11)] = T2X + T2Y; in hf_16()
/dports/math/fftw3-float/fftw-3.3.9/rdft/scalar/r2cb/
H A Dhc2cbdft_16.c428 E T2Y, T3m, T3k, T3o, T3c; in hc2cbdft_16() local
429 T2Y = FNMS(T2Q, T2X, T2P); in hc2cbdft_16()
434 Rp[WS(rs, 1)] = T2Y - T3k; in hc2cbdft_16()
436 Rm[WS(rs, 1)] = T2Y + T3k; in hc2cbdft_16()
486 E T2M, Tu, T1Y, T2Q, T2X, T2T, T2Y, TY, T1d, T19, T1e, T2v, T2C, T2y, T2D; in hc2cbdft_16() local
636 T2Y = FNMS(KP923879532, T2R, KP382683432 * T2S); in hc2cbdft_16()
780 T2Z = T2X + T2Y; in hc2cbdft_16()
833 T3u = T2X - T2Y; in hc2cbdft_16()
H A Dhc2cbdft2_16.c428 E T2Y, T3m, T3k, T3o, T3c; in hc2cbdft2_16() local
429 T2Y = FNMS(T2Q, T2X, T2P); in hc2cbdft2_16()
434 Rp[WS(rs, 1)] = T2Y - T3k; in hc2cbdft2_16()
436 Rm[WS(rs, 1)] = T2Y + T3k; in hc2cbdft2_16()
486 E T2M, Tu, T1Y, T2Q, T2X, T2T, T2Y, TY, T1d, T19, T1e, T2v, T2C, T2y, T2D; in hc2cbdft2_16() local
636 T2Y = FNMS(KP923879532, T2R, KP382683432 * T2S); in hc2cbdft2_16()
780 T2Z = T2X + T2Y; in hc2cbdft2_16()
833 T3u = T2X - T2Y; in hc2cbdft2_16()
/dports/math/fftw3/fftw-3.3.9/rdft/scalar/r2cb/
H A Dhb_15.c49 E Ts, Tv, T37, T3h, T28, T2h, T21, T2g, T2V, T2W, T2X, T2Y, T2Z, T30, T31; in hb_15() local
193 T2Y = FNMS(KP866025403, T1L, T1K); in hb_15()
195 T30 = T2Y + T2Z; in hb_15()
349 T3m = T2Y - T2Z; in hb_15()
728 E T31, T3h, T36, T3k, T2K, T3g, T2Y, T2U, T3l, T39, T2B, T2L; in hb_15() local
747 T2Y = T2W - T2X; in hb_15()
770 T32 = T2Y - T31; in hb_15()
779 T3c = T2Y + T31; in hb_15()

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