/dports/science/py-pyscf/pyscf-2.0.1/pyscf/solvent/test/ |
H A D | test_ddcosmo_tdscf_grad.py | 42 self.assertAlmostEqual((td2.e_tot[0]-td1.e_tot[0])/0.002, g1[0,2], 6) 53 self.assertAlmostEqual((td2.e_tot[0]-td1.e_tot[0])/0.002, g1[0,2], 6) 65 self.assertAlmostEqual((td2.e_tot[0]-td1.e_tot[0])/0.002, g1[0,2], 6) 76 self.assertAlmostEqual((td2.e_tot[0]-td1.e_tot[0])/0.002, g1[0,2], 6) 88 self.assertAlmostEqual((td2.e_tot[0]-td1.e_tot[0])/0.002, g1[0,2], 6) 99 self.assertAlmostEqual((td2.e_tot[0]-td1.e_tot[0])/0.002, g1[0,2], 6) 111 self.assertAlmostEqual((td2.e_tot[0]-td1.e_tot[0])/0.002, g1[0,2], 5) 122 self.assertAlmostEqual((td2.e_tot[0]-td1.e_tot[0])/0.002, g1[0,2], 5) 134 self.assertAlmostEqual((td2.e_tot[0]-td1.e_tot[0])/0.002, g1[0,2], 5) 145 self.assertAlmostEqual((td2.e_tot[0]-td1.e_tot[0])/0.002, g1[0,2], 5) [all …]
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/dports/net/h323plus/h323plus-1_27_2/plugins/audio/Speex/libspeex/ |
H A D | stereo.c | 47 float e_left=0, e_right=0, e_tot=0; in speex_encode_stereo() local 57 e_ratio = e_tot/(1+e_left+e_right); in speex_encode_stereo() 84 float e_left=0, e_right=0, e_tot=0; in speex_encode_stereo_int() local 94 e_ratio = e_tot/(1+e_left+e_right); in speex_encode_stereo_int() 128 e_tot += ((float)data[i])*data[i]; in speex_decode_stereo() 130 e_sum=e_tot/e_ratio; in speex_decode_stereo() 134 e_left = sqrt(e_left/(e_tot+.01)); in speex_decode_stereo() 135 e_right = sqrt(e_right/(e_tot+.01)); in speex_decode_stereo() 159 e_sum=e_tot/e_ratio; in speex_decode_stereo_int() 163 e_left = sqrt(e_left/(e_tot+.01)); in speex_decode_stereo_int() [all …]
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/dports/games/flightgear/flightgear-2020.3.11/3rdparty/iaxclient/lib/libspeex/ |
H A D | stereo.c | 47 float e_left=0, e_right=0, e_tot=0; in speex_encode_stereo() local 57 e_ratio = e_tot/(1+e_left+e_right); in speex_encode_stereo() 84 float e_left=0, e_right=0, e_tot=0; in speex_encode_stereo_int() local 94 e_ratio = e_tot/(1+e_left+e_right); in speex_encode_stereo_int() 128 e_tot += ((float)data[i])*data[i]; in speex_decode_stereo() 130 e_sum=e_tot/e_ratio; in speex_decode_stereo() 134 e_left = sqrt(e_left/(e_tot+.01)); in speex_decode_stereo() 135 e_right = sqrt(e_right/(e_tot+.01)); in speex_decode_stereo() 159 e_sum=e_tot/e_ratio; in speex_decode_stereo_int() 163 e_left = sqrt(e_left/(e_tot+.01)); in speex_decode_stereo_int() [all …]
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/dports/devel/raknet/raknet-3.9.2_10,1/DependentExtensions/speex-1.1.12/libspeex/ |
H A D | stereo.c | 47 float e_left=0, e_right=0, e_tot=0; in speex_encode_stereo() local 57 e_ratio = e_tot/(1+e_left+e_right); in speex_encode_stereo() 84 float e_left=0, e_right=0, e_tot=0; in speex_encode_stereo_int() local 94 e_ratio = e_tot/(1+e_left+e_right); in speex_encode_stereo_int() 128 e_tot += ((float)data[i])*data[i]; in speex_decode_stereo() 130 e_sum=e_tot/e_ratio; in speex_decode_stereo() 134 e_left = sqrt(e_left/(e_tot+.01)); in speex_decode_stereo() 135 e_right = sqrt(e_right/(e_tot+.01)); in speex_decode_stereo() 159 e_sum=e_tot/e_ratio; in speex_decode_stereo_int() 163 e_left = sqrt(e_left/(e_tot+.01)); in speex_decode_stereo_int() [all …]
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/dports/net/opal/opal-3.10.10/plugins/audio/Speex/libspeex/ |
H A D | stereo.c | 47 float e_left=0, e_right=0, e_tot=0; in speex_encode_stereo() local 57 e_ratio = e_tot/(1+e_left+e_right); in speex_encode_stereo() 84 float e_left=0, e_right=0, e_tot=0; in speex_encode_stereo_int() local 94 e_ratio = e_tot/(1+e_left+e_right); in speex_encode_stereo_int() 128 e_tot += ((float)data[i])*data[i]; in speex_decode_stereo() 130 e_sum=e_tot/e_ratio; in speex_decode_stereo() 134 e_left = sqrt(e_left/(e_tot+.01)); in speex_decode_stereo() 135 e_right = sqrt(e_right/(e_tot+.01)); in speex_decode_stereo() 159 e_sum=e_tot/e_ratio; in speex_decode_stereo_int() 163 e_left = sqrt(e_left/(e_tot+.01)); in speex_decode_stereo_int() [all …]
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/mcscf/test/ |
H A D | test_mc1step.py | 63 self.assertAlmostEqual(mc1.e_tot, -108.91497905985173, 7) 67 self.assertAlmostEqual(mc1.e_tot, -108.91497905985173, 7) 70 self.assertAlmostEqual(mc1.e_tot, -109.02535605303684, 7) 74 self.assertAlmostEqual(mc1.e_tot, -108.91497905985173, 7) 78 self.assertAlmostEqual(mc1.e_tot, -108.91497905985173, 7) 87 self.assertAlmostEqual(mc1.e_tot, -2.850576699649737, 9) 97 self.assertAlmostEqual(mc1.e_tot, -2.850576699649737, 9) 210 self.assertAlmostEqual(mc0.e_tot, mc2.e_tot, 8) 237 e_tot, e_ci, fcivec = mc1.casci(mc1.mo_coeff) 238 self.assertAlmostEqual(e_tot, -108.83741684447352, 9) [all …]
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H A D | test_h2o.py | 65 self.assertAlmostEqual (mc.e_tot, mc_ref.e_tot, 8) 74 self.assertAlmostEqual (mc.e_tot, mc_ref.e_tot, 8) 83 self.assertAlmostEqual (mc.e_tot, mc_ref.e_tot, 8) 93 self.assertAlmostEqual (mc.e_tot, mc_ref.e_tot, 8) 103 self.assertAlmostEqual (mc.e_tot, mc_ref.e_tot, 8) 113 self.assertAlmostEqual (mc.e_tot, mc_ref.e_tot, 8) 123 self.assertAlmostEqual (mc.e_tot, mc_ref.e_tot, 8)
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H A D | test_umc1step.py | 50 self.assertAlmostEqual(mc1.e_tot, -75.795316854668201, 6) 54 self.assertAlmostEqual(mc1.e_tot, -75.795316865791847, 6) 60 self.assertAlmostEqual(mc1.e_tot, -2.850576699649737, 9) 63 self.assertAlmostEqual(mc1.e_tot, -2.8356798736405673, 9) 66 self.assertAlmostEqual(mc1.e_tot, -2.8356798736405673, 9) 86 self.assertAlmostEqual(mc.e_tot, -75.755924721041396, 7) 117 self.assertAlmostEqual(mc.e_tot, -75.753628185779561, 7) 128 e_tot, e_ci, fcivec = mc1.casci(mc1.mo_coeff) 129 self.assertAlmostEqual(e_tot, -75.733190125187946, 9)
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H A D | test_casci.py | 62 self.assertAlmostEqual(mc1.e_tot, -108.89264146901512, 7) 66 self.assertAlmostEqual(mc1.e_tot, -108.89264146901512, 7) 71 self.assertAlmostEqual(mc1.e_tot, -108.03741684418183, 7) 74 self.assertAlmostEqual(mc1.e_tot, -108.83741684447352, 7) 83 self.assertAlmostEqual(mc1.e_tot, -108.71841138528966, 9) 109 self.assertAlmostEqual(mc1.e_tot[0], -108.83741684447352, 9) 110 self.assertAlmostEqual(mc1.e_tot[1], -108.72522194135604, 9) 163 self.assertAlmostEqual(mc1.e_tot, mc2.e_tot, 9) 172 self.assertAlmostEqual(mc1.e_tot, -108.83741684445798, 9) 178 self.assertAlmostEqual(mc1.e_tot, -105.82542805259033, 9) [all …]
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/pbc/scf/test/ |
H A D | test_newton.py | 57 self.assertAlmostEqual(mf.e_tot, -10.137043711032916, 8) 66 self.assertAlmostEqual(mf.e_tot, -11.336879498930173, 8) 73 self.assertAlmostEqual(mf.e_tot, -10.137043711032916, 8) 79 self.assertAlmostEqual(mf.e_tot, -10.137043711032916, 8) 87 self.assertAlmostEqual(mf.e_tot, -9.7670882971475663, 8) 95 self.assertAlmostEqual(mf.e_tot, -9.7670882971475663, 8) 103 self.assertAlmostEqual(mf.e_tot, -9.9355341416893559, 8) 111 self.assertAlmostEqual(mf.e_tot, -9.9355341416893559, 8) 118 self.assertAlmostEqual(mf.e_tot, -10.5309059210831, 8) 125 self.assertAlmostEqual(mf.e_tot, -10.5309059210831, 8) [all …]
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/dports/science/py-pyscf/pyscf-2.0.1/examples/pbc/ |
H A D | 22-k_points_mp2.py | 36 print("KMP2 energy (per unit cell) =", mypt.e_tot) 48 print("KMP2 energy (per unit cell) =", mypt.e_tot) 63 print("RMP2 energy (per unit cell) at k-point =", mypt.e_tot) 69 e_tot = numpy.einsum('ij,ji', h1, dm1) + numpy.einsum('ijkl,jilk', eri_mo, dm2)*.5 + mf.energy_nuc() variable 70 print("RMP2 energy based on MP2 density matrices =", e_tot.real) 75 print("UMP2 energy (per unit cell) at k-point =", mypt.e_tot) 85 e_tot = (numpy.einsum('ij,ji', h1a, dm1a) + variable 90 print("UMP2 energy based on MP2 density matrices =", e_tot.real) 95 print("GMP2 energy (per unit cell) at k-point =", mypt.e_tot) 106 e_tot = numpy.einsum('ij,ji', h1, dm1) + numpy.einsum('ijkl,jilk', eri_mo, dm2)*.5 + mf.energy_nuc() variable [all …]
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H A D | 22-k_points_ccsd.py | 36 print("KRCCSD energy (per unit cell) =", mycc.e_tot) 48 print("KRCCSD energy (per unit cell) =", mycc.e_tot) 63 print("RCCSD energy (per unit cell) at k-point =", mycc.e_tot) 69 e_tot = numpy.einsum('ij,ji', h1, dm1) + numpy.einsum('ijkl,jilk', eri_mo, dm2)*.5 + mf.energy_nuc() variable 70 print("RCCSD energy based on CCSD density matrices =", e_tot.real) 75 print("UCCSD energy (per unit cell) at k-point =", mycc.e_tot) 85 e_tot = (numpy.einsum('ij,ji', h1a, dm1a) + variable 90 print("UCCSD energy based on CCSD density matrices =", e_tot.real) 95 print("GCCSD energy (per unit cell) at k-point =", mycc.e_tot) 106 e_tot = numpy.einsum('ij,ji', h1, dm1) + numpy.einsum('ijkl,jilk', eri_mo, dm2)*.5 + mf.energy_nuc() variable [all …]
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/pbc/dft/test/ |
H A D | test_rks.py | 136 self.assertAlmostEqual(mf.e_tot, -4.717699891018736, 7) 142 self.assertAlmostEqual(mf.e_tot, -2.3032261128220544, 7) 146 self.assertAlmostEqual(mf.e_tot, -2.3987595548455523, 7) 152 self.assertAlmostEqual(mf.e_tot, -2.303232164939132, 7) 156 self.assertAlmostEqual(mf.e_tot, -2.3987656490734555, 7) 162 self.assertAlmostEqual(mf.e_tot, -2.303225896642264, 7) 166 self.assertAlmostEqual(mf.e_tot, -2.398759319488945, 7) 174 self.assertAlmostEqual(mf.e_tot, -2.303226113014942, 7) 191 self.assertAlmostEqual(mf.e_tot, -2.4836596871145558, 7) 198 self.assertAlmostEqual(mf1.e_tot, mf.e_tot, 4)
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/solvent/ |
H A D | _attach_solvent.py | 96 e_tot += vhf.e_solvent 99 return e_tot, e_coul 240 e_tot = e_tot - edup + with_solvent.e 249 return e_tot, e_cas, fcivec 337 return self.e_tot, e_cas, ci0 348 e_tot = e_last = 0 353 de = e_tot - e_last 366 e_last = e_tot 486 de = e_tot - e_last 488 cycle, e_tot, de) [all …]
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/mcscf/ |
H A D | chkfile.py | 32 e_tot=None, mo_coeff=None, ncore=None, ncas=None, argument 40 if e_tot is None: e_tot = mc.e_tot 63 store('e_tot', e_tot)
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H A D | mc2step.py | 42 e_tot, e_cas, fcivec = casscf.casci(mo, ci0, eris, log, locals()) 51 return True, e_tot, e_cas, fcivec, mo, mo_energy 58 de, elast = e_tot, e_tot 108 e_tot, e_cas, fcivec = casscf.casci(mo, fcivec, eris, log, locals()) 112 de, elast = e_tot - elast, e_tot 117 elast = e_tot 155 return conv, e_tot, e_cas, fcivec, mo, mo_energy
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/dports/games/ioquake3-server/ioquake3-1.36/code/libspeex/ |
H A D | stereo.c | 111 float e_left=0, e_right=0, e_tot=0; in speex_encode_stereo() local 118 e_tot += ((float)data[i])*data[i]; in speex_encode_stereo() 121 e_ratio = e_tot/(1+e_left+e_right); in speex_encode_stereo() 149 spx_word32_t e_left=0, e_right=0, e_tot=0; in speex_encode_stereo_int() local 172 e_tot += SHR32(MULT16_16(data[i],data[i]),8); in speex_encode_stereo_int() 206 shift = spx_ilog2(e_tot); in speex_encode_stereo_int() 207 e_tot = VSHR32(e_tot, shift-25); in speex_encode_stereo_int() 210 e_ratio = DIV32(e_tot, e_left+e_right+1); in speex_encode_stereo_int() 212 e_ratio = e_tot/(1.+e_left+e_right); in speex_encode_stereo_int()
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/dports/games/ioquake3/ioquake3-1.36/code/libspeex/ |
H A D | stereo.c | 111 float e_left=0, e_right=0, e_tot=0; in speex_encode_stereo() local 118 e_tot += ((float)data[i])*data[i]; in speex_encode_stereo() 121 e_ratio = e_tot/(1+e_left+e_right); in speex_encode_stereo() 149 spx_word32_t e_left=0, e_right=0, e_tot=0; in speex_encode_stereo_int() local 172 e_tot += SHR32(MULT16_16(data[i],data[i]),8); in speex_encode_stereo_int() 206 shift = spx_ilog2(e_tot); in speex_encode_stereo_int() 207 e_tot = VSHR32(e_tot, shift-25); in speex_encode_stereo_int() 210 e_ratio = DIV32(e_tot, e_left+e_right+1); in speex_encode_stereo_int() 212 e_ratio = e_tot/(1.+e_left+e_right); in speex_encode_stereo_int()
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/dports/net/pjsip/pjproject-2.11.1/third_party/speex/libspeex/ |
H A D | stereo.c | 111 float e_left=0, e_right=0, e_tot=0; in speex_encode_stereo() local 118 e_tot += ((float)data[i])*data[i]; in speex_encode_stereo() 121 e_ratio = e_tot/(1+e_left+e_right); in speex_encode_stereo() 149 spx_word32_t e_left=0, e_right=0, e_tot=0; in speex_encode_stereo_int() local 172 e_tot += SHR32(MULT16_16(data[i],data[i]),8); in speex_encode_stereo_int() 206 shift = spx_ilog2(e_tot); in speex_encode_stereo_int() 207 e_tot = VSHR32(e_tot, shift-25); in speex_encode_stereo_int() 210 e_ratio = DIV32(e_tot, e_left+e_right+1); in speex_encode_stereo_int() 212 e_ratio = e_tot/(1.+e_left+e_right); in speex_encode_stereo_int()
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/dports/games/openarena-server/openarena-engine-source-0.8.8/code/libspeex/ |
H A D | stereo.c | 111 float e_left=0, e_right=0, e_tot=0; in speex_encode_stereo() local 118 e_tot += ((float)data[i])*data[i]; in speex_encode_stereo() 121 e_ratio = e_tot/(1+e_left+e_right); in speex_encode_stereo() 149 spx_word32_t e_left=0, e_right=0, e_tot=0; in speex_encode_stereo_int() local 172 e_tot += SHR32(MULT16_16(data[i],data[i]),8); in speex_encode_stereo_int() 206 shift = spx_ilog2(e_tot); in speex_encode_stereo_int() 207 e_tot = VSHR32(e_tot, shift-25); in speex_encode_stereo_int() 210 e_ratio = DIV32(e_tot, e_left+e_right+1); in speex_encode_stereo_int() 212 e_ratio = e_tot/(1.+e_left+e_right); in speex_encode_stereo_int()
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/dports/games/openarena/openarena-engine-source-0.8.8/code/libspeex/ |
H A D | stereo.c | 111 float e_left=0, e_right=0, e_tot=0; in speex_encode_stereo() local 118 e_tot += ((float)data[i])*data[i]; in speex_encode_stereo() 121 e_ratio = e_tot/(1+e_left+e_right); in speex_encode_stereo() 149 spx_word32_t e_left=0, e_right=0, e_tot=0; in speex_encode_stereo_int() local 172 e_tot += SHR32(MULT16_16(data[i],data[i]),8); in speex_encode_stereo_int() 206 shift = spx_ilog2(e_tot); in speex_encode_stereo_int() 207 e_tot = VSHR32(e_tot, shift-25); in speex_encode_stereo_int() 210 e_ratio = DIV32(e_tot, e_left+e_right+1); in speex_encode_stereo_int() 212 e_ratio = e_tot/(1.+e_left+e_right); in speex_encode_stereo_int()
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/dports/games/evq3/evq3/code/libspeex/ |
H A D | stereo.c | 111 float e_left=0, e_right=0, e_tot=0; in speex_encode_stereo() local 118 e_tot += ((float)data[i])*data[i]; in speex_encode_stereo() 121 e_ratio = e_tot/(1+e_left+e_right); in speex_encode_stereo() 149 spx_word32_t e_left=0, e_right=0, e_tot=0; in speex_encode_stereo_int() local 172 e_tot += SHR32(MULT16_16(data[i],data[i]),8); in speex_encode_stereo_int() 206 shift = spx_ilog2(e_tot); in speex_encode_stereo_int() 207 e_tot = VSHR32(e_tot, shift-25); in speex_encode_stereo_int() 210 e_ratio = DIV32(e_tot, e_left+e_right+1); in speex_encode_stereo_int() 212 e_ratio = e_tot/(1.+e_left+e_right); in speex_encode_stereo_int()
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/dports/devel/godot2-tools/godot-2.1.6-stable/thirdparty/speex/ |
H A D | stereo.c | 111 float e_left=0, e_right=0, e_tot=0; in speex_encode_stereo() local 118 e_tot += ((float)data[i])*data[i]; in speex_encode_stereo() 121 e_ratio = e_tot/(1+e_left+e_right); in speex_encode_stereo() 149 spx_word32_t e_left=0, e_right=0, e_tot=0; in speex_encode_stereo_int() local 172 e_tot += SHR32(MULT16_16(data[i],data[i]),8); in speex_encode_stereo_int() 206 shift = spx_ilog2(e_tot); in speex_encode_stereo_int() 207 e_tot = VSHR32(e_tot, shift-25); in speex_encode_stereo_int() 210 e_ratio = DIV32(e_tot, e_left+e_right+1); in speex_encode_stereo_int() 212 e_ratio = e_tot/(1.+e_left+e_right); in speex_encode_stereo_int()
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/dports/devel/godot2/godot-2.1.6-stable/thirdparty/speex/ |
H A D | stereo.c | 111 float e_left=0, e_right=0, e_tot=0; in speex_encode_stereo() local 118 e_tot += ((float)data[i])*data[i]; in speex_encode_stereo() 121 e_ratio = e_tot/(1+e_left+e_right); in speex_encode_stereo() 149 spx_word32_t e_left=0, e_right=0, e_tot=0; in speex_encode_stereo_int() local 172 e_tot += SHR32(MULT16_16(data[i],data[i]),8); in speex_encode_stereo_int() 206 shift = spx_ilog2(e_tot); in speex_encode_stereo_int() 207 e_tot = VSHR32(e_tot, shift-25); in speex_encode_stereo_int() 210 e_ratio = DIV32(e_tot, e_left+e_right+1); in speex_encode_stereo_int() 212 e_ratio = e_tot/(1.+e_left+e_right); in speex_encode_stereo_int()
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/dports/audio/speex/speex-1.2.0/libspeex/ |
H A D | stereo.c | 112 float e_left=0, e_right=0, e_tot=0; 119 e_tot += ((float)data[i])*data[i]; 122 e_ratio = e_tot/(1+e_left+e_right); 150 spx_word32_t e_left=0, e_right=0, e_tot=0; 173 e_tot += SHR32(MULT16_16(data[i],data[i]),8); 207 shift = spx_ilog2(e_tot); 208 e_tot = VSHR32(e_tot, shift-25); 211 e_ratio = DIV32(e_tot, e_left+e_right+1); 213 e_ratio = e_tot/(1.+e_left+e_right);
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