/dports/devel/py-cclib/cclib-1.7.1/data/Turbomole/basicTurbomole7.4/CO_cc2_TD/ |
H A D | exstates | 80 energy1= -0.1127913348E+03 threxc1= 0.1000000000E-05 85 energy1= -0.1127913348E+03 threxc1= 0.1000000000E-05 90 energy1= -0.1127306278E+03 threxc1= 0.1000000000E-05 95 energy1= -0.1127232495E+03 threxc1= 0.1000000000E-05 100 energy1= -0.1127232495E+03 threxc1= 0.1000000000E-05 105 energy1= -0.1127048648E+03 threxc1= 0.1000000000E-05 110 energy1= -0.1126819283E+03 threxc1= 0.1000000000E-05 115 energy1= -0.1126715850E+03 threxc1= 0.1000000000E-05 120 energy1= -0.1126715850E+03 threxc1= 0.1000000000E-05 125 energy1= -0.1126134524E+03 threxc1= 0.1000000000E-05
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/dports/audio/praat/praat-6.2.03/test/fon/ |
H A D | fourier.praat | 25 energy1 = Get energy... 0 0 29 assert abs (energy1 - energy2) < 1e-6 ; 'duration' 'samplingFrequency' 32 assert abs (energy3 - energy1) < 1e-6 ; 'duration' 'samplingFrequency' 42 assert abs (energy1 - energy2) < 1e-6 ; 'duration' 'samplingFrequency' 'energy1' 'energy2' 45 assert abs (energy3 - energy1) < 1e-6 ; 'duration' 'samplingFrequency' 'energy1' 'energy3'
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H A D | soundFiles.praat | 8 energy1 = Get energy in air 14 assert "'energy1:12'" = "'energy2:12'" ; 'numberOfChannels' 27 energy1 = Get energy in air 33 assert "'energy1:12'" = "'energy2:12'" 46 energy1 = Get energy in air 52 assert "'energy1:12'" = "'energy2:12'" ; '.type$' '.extension$' '.duration'
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsd_t/ |
H A D | ccsd_t.F | 69 double precision energy1,energy2 97 energy1 = 0.0d0 181 call ccsd_t_loop(k,energy1,energy2, 287 energy(1) = energy1 291 energy1 = energy(1) 311 & energy1,energy2) 321 double precision energy1,energy2 331 & energy1,energy2) 339 & energy1,energy2) 359 double precision energy1,energy2 [all …]
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H A D | ccsd_t_gpu.F | 3 1 d_v2,k_v2_offset,energy1,energy2,size_t1,icuda) 42 double precision energy1,energy2,energy2_t 105 energy1=0.0d0 233 energy1 = energy1 + factor * dbl_mb(k_doubles+i-1) 289 energy1 = energy1 + energy_l(1) 325 call ga_acc(g_energy,1,1,1,1,energy1,1,1.0d0) 327 call ga_get(g_energy,1,1,1,1,energy1,1) 335 call ga_dgop(1975,energy1,1,'+')
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H A D | ccsd_t_6dts.F | 2 1 d_v2,k_v2_offset,energy1,energy2,size_t1,xmem) 57 double precision energy1,energy2 80 energy1 = 0.0d0 300 energy1 = energy1 + factor*denom 305 energy1 = energy1 + factor*denom 353 energy(1) = energy1 356 energy1 = energy(1)
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H A D | lambda_ccsd_t.F | 4 3 energy1,energy2) 43 double precision energy1,energy2 55 energy1=0.0d0 162 energy1 = energy1 + factor * dbl_mb(k_tdoubles+i-1) 206 call ga_acc(g_energy,1,1,1,1,energy1,1,1.0d0) 208 call ga_get(g_energy,1,1,1,1,energy1,1)
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H A D | ccsd_t_dot.F | 29 & energy1,energy2) 42 double precision energy1,energy2 108 energy1 = energy1 + denom*doub
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsd_t/ |
H A D | ccsd_t.F | 61 double precision energy1,energy2 89 energy1 = 0.0d0 173 call ccsd_t_loop(k,energy1,energy2, 279 energy(1) = energy1 283 energy1 = energy(1) 303 & energy1,energy2) 313 double precision energy1,energy2 323 & energy1,energy2) 331 & energy1,energy2) 351 double precision energy1,energy2 [all …]
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H A D | ccsd_t_gpu.F | 3 1 d_v2,k_v2_offset,energy1,energy2,size_t1,icuda) 42 double precision energy1,energy2,energy2_t 105 energy1=0.0d0 233 energy1 = energy1 + factor * dbl_mb(k_doubles+i-1) 289 energy1 = energy1 + energy_l(1) 325 call ga_acc(g_energy,1,1,1,1,energy1,1,1.0d0) 327 call ga_get(g_energy,1,1,1,1,energy1,1) 335 call ga_dgop(1975,energy1,1,'+')
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H A D | ccsd_t_6dts.F | 2 1 d_v2,k_v2_offset,energy1,energy2,size_t1,xmem) 57 double precision energy1,energy2 80 energy1 = 0.0d0 300 energy1 = energy1 + factor*denom 305 energy1 = energy1 + factor*denom 353 energy(1) = energy1 356 energy1 = energy(1)
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H A D | lambda_ccsd_t.F | 4 3 energy1,energy2) 43 double precision energy1,energy2 55 energy1=0.0d0 162 energy1 = energy1 + factor * dbl_mb(k_tdoubles+i-1) 206 call ga_acc(g_energy,1,1,1,1,energy1,1,1.0d0) 208 call ga_get(g_energy,1,1,1,1,energy1,1)
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H A D | ccsd_t_dot.F | 21 & energy1,energy2) 34 double precision energy1,energy2 100 energy1 = energy1 + denom*doub
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/dports/science/ascent/ascent-0.7.1-66-gbcf2742a/src/examples/proxies/cloverleaf3d-ref/ |
H A D | advec_cell_kernel.f90 | 44 energy1, & argument 159 diffuw=energy1(donor,k,l)-energy1(upwind,k,l) 160 diffdw=energy1(downwind,k,l)-energy1(donor,k,l) 167 ener_flux(j,k,l)=mass_flux_x(j,k,l)*(energy1(donor,k,l)+limiter) 183 energy1(j,k,l)=post_ener(j,k,l) 254 diffuw=energy1(j,donor,l)-energy1(j,upwind,l) 255 diffdw=energy1(j,downwind,l)-energy1(j,donor,l) 278 energy1(j,k,l)=post_ener(j,k,l) 349 diffuw=energy1(j,k,donor)-energy1(j,k,upwind) 350 diffdw=energy1(j,k,downwind)-energy1(j,k,donor) [all …]
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H A D | reset_field_kernel.f90 | 31 energy1, & argument 43 REAL(KIND=8), DIMENSION(x_min-2:x_max+2,y_min-2:y_max+2,z_min-2:z_max+2) :: density1,energy1 local 64 energy0(j,k,l)=energy1(j,k,l)
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H A D | revert_kernel.f90 | 37 REAL(KIND=8), DIMENSION(x_min-2:x_max+2,y_min-2:y_max+2,z_min-2:z_max+2) :: energy1 local 57 energy1(j,k,l)=energy0(j,k,l)
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/dports/biology/protomol/protomol/framework/forces/ |
H A D | OneAtomPairTwoFull.h | 147 Real energy1, force1, energy2, force2; in doOneAtomPair() local 153 energy1 = rawEnergy1 * switchingValue1; in doOneAtomPair() 160 energy1 = rawEnergy1; in doOneAtomPair() 166 nonbondedForceFunctionFirst.accumulateEnergy(energies, energy1); in doOneAtomPair() 181 TConstraint::check(realTopo,i,j,diffMinimal,energy1+energy2,fij); in doOneAtomPair() 201 Real energy1, force1, energy2, force2; in doOneAtomPair() local 207 energy1 = rawEnergy1 * switchingValue1; in doOneAtomPair() 214 energy1 = rawEnergy1; in doOneAtomPair() 223 energy1 /= 2; in doOneAtomPair() 242 nonbondedForceFunctionFirst.accumulateEnergy(energies, energy1); in doOneAtomPair() [all …]
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H A D | OneAtomPairTwo.h | 145 Real energy1, force1, energy2, force2; in doOneAtomPair() local 146 …nonbondedForceFunctionFirst(energy1, force1, distSquared, rDistSquared, diff, realTopo, i, j, excl… in doOneAtomPair() 154 force1 = force1 * switchingValue - energy1 * switchingDeriv; in doOneAtomPair() 155 energy1 = energy1 * switchingValue; in doOneAtomPair() 163 nonbondedForceFunctionFirst.accumulateEnergy(energies, energy1); in doOneAtomPair() 181 TConstraint::check(realTopo,i,j,diff,energy1+energy2,fij); in doOneAtomPair()
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/dports/biology/protomol/protomol/applications/iSGProtomol-app/forces/ |
H A D | iSGOneAtomPairTwoFull.h | 148 Real energy1, force1, deltaMu1, energy2, force2, deltaMu2; in doOneAtomPair() local 154 energy1 = rawEnergy1 * switchingValue1; in doOneAtomPair() 163 energy1 = rawEnergy1; in doOneAtomPair() 171 nonbondedForceFunctionFirst.accumulateEnergy(energies, energy1, deltaMu1); in doOneAtomPair() 186 TConstraint::check(realTopo,i,j,diffMinimal,energy1+energy2,fij); in doOneAtomPair() 207 Real energy1, force1, deltaMu1, energy2, force2, deltaMu2; in doOneAtomPair() local 213 energy1 = rawEnergy1 * switchingValue1; in doOneAtomPair() 222 energy1 = rawEnergy1; in doOneAtomPair() 233 energy1 /= 2; in doOneAtomPair() 254 nonbondedForceFunctionFirst.accumulateEnergy(energies, energy1, deltaMu1); in doOneAtomPair() [all …]
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H A D | iSGOneAtomPairTwo.h | 144 Real energy1, force1, energy2, force2, deltaMu1, deltaMu2; in doOneAtomPair() local 145 energy1 = energy2 = force1 = force2 = deltaMu1 = deltaMu2 = 0.0; in doOneAtomPair() 146 …nonbondedForceFunctionFirst(energy1, force1, deltaMu1, distSquared, rDistSquared, diff, realTopo, … in doOneAtomPair() 154 force1 = force1 * switchingValue - energy1 * switchingDeriv; in doOneAtomPair() 155 energy1 = energy1 * switchingValue; in doOneAtomPair() 165 nonbondedForceFunctionFirst.accumulateEnergy(energies, energy1, deltaMu1); in doOneAtomPair() 184 TConstraint::check(realTopo,i,j,diff,energy1+energy2,fij); in doOneAtomPair()
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/dports/devel/py-cclib/cclib-1.7.1/data/Turbomole/basicTurbomole7.4/CO_adc2_TD/ |
H A D | exstates | 69 energy1= -0.1126972527E+03 threxc1= 0.1000000000E-05 74 energy1= -0.1126972527E+03 threxc1= 0.1000000000E-05 79 energy1= -0.1126493680E+03 threxc1= 0.1000000000E-05 84 energy1= -0.1126422096E+03 threxc1= 0.1000000000E-05 89 energy1= -0.1126422096E+03 threxc1= 0.1000000000E-05 94 energy1= -0.1125036433E+03 threxc1= 0.1000000000E-05 99 energy1= -0.1125036433E+03 threxc1= 0.1000000000E-05 104 energy1= -0.1125017778E+03 threxc1= 0.1000000000E-05 109 energy1= -0.1124099719E+03 threxc1= 0.1000000000E-05 114 energy1= -0.1123387308E+03 threxc1= 0.1000000000E-05
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/dports/science/madness/madness-ebb3fd7/src/apps/chem/ |
H A D | molopt.h | 168 double energy1; variable 181 energy1 = target.value(x + a1 * dx); 184 hess = 2.0*(energy1-energy0-a1*dxgrad)/(a1*a1); 187 if (std::abs(energy1-energy0) < energy_precision) { // Insufficient precision 192 if ((energy1 - energy0) <= -energy_precision) { // a1 step went downhill 204 if ((energy1 - energy0) < energy_precision) { // keep walking down hill
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/dports/www/qt5-webengine/qtwebengine-everywhere-src-5.15.2/src/3rdparty/chromium/third_party/webrtc/modules/audio_coding/neteq/ |
H A D | expand.cc | 504 int32_t energy1 = WebRtcSpl_DotProductWithScale( in AnalyzeSignal() local 516 if ((energy1 > 0) && (energy2 > 0)) { in AnalyzeSignal() 517 int energy1_scale = std::max(16 - WebRtcSpl_NormW32(energy1), 0); in AnalyzeSignal() 524 int32_t scaled_energy1 = energy1 >> energy1_scale; in AnalyzeSignal() 545 energy1 = WebRtcSpl_DotProductWithScale(vector1, vector1, expansion_length, in AnalyzeSignal() 552 if ((energy1 / 4 < energy2) && (energy1 > energy2 / 4)) { in AnalyzeSignal() 559 WebRtcSpl_DivW32W16(WEBRTC_SPL_SHIFT_W32(energy1, -scaled_energy1), in AnalyzeSignal() 584 if ((energy1 / 4 < energy2) || (energy2 == 0)) { in AnalyzeSignal()
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/dports/net-im/tg_owt/tg_owt-d578c76/src/modules/audio_coding/neteq/ |
H A D | expand.cc | 504 int32_t energy1 = WebRtcSpl_DotProductWithScale( in AnalyzeSignal() local 516 if ((energy1 > 0) && (energy2 > 0)) { in AnalyzeSignal() 517 int energy1_scale = std::max(16 - WebRtcSpl_NormW32(energy1), 0); in AnalyzeSignal() 524 int32_t scaled_energy1 = energy1 >> energy1_scale; in AnalyzeSignal() 545 energy1 = WebRtcSpl_DotProductWithScale(vector1, vector1, expansion_length, in AnalyzeSignal() 552 if ((energy1 / 4 < energy2) && (energy1 > energy2 / 4)) { in AnalyzeSignal() 559 WebRtcSpl_DivW32W16(WEBRTC_SPL_SHIFT_W32(energy1, -scaled_energy1), in AnalyzeSignal() 584 if ((energy1 / 4 < energy2) || (energy2 == 0)) { in AnalyzeSignal()
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/dports/www/chromium-legacy/chromium-88.0.4324.182/third_party/webrtc/modules/audio_coding/neteq/ |
H A D | expand.cc | 504 int32_t energy1 = WebRtcSpl_DotProductWithScale( in AnalyzeSignal() local 516 if ((energy1 > 0) && (energy2 > 0)) { in AnalyzeSignal() 517 int energy1_scale = std::max(16 - WebRtcSpl_NormW32(energy1), 0); in AnalyzeSignal() 524 int32_t scaled_energy1 = energy1 >> energy1_scale; in AnalyzeSignal() 545 energy1 = WebRtcSpl_DotProductWithScale(vector1, vector1, expansion_length, in AnalyzeSignal() 552 if ((energy1 / 4 < energy2) && (energy1 > energy2 / 4)) { in AnalyzeSignal() 559 WebRtcSpl_DivW32W16(WEBRTC_SPL_SHIFT_W32(energy1, -scaled_energy1), in AnalyzeSignal() 584 if ((energy1 / 4 < energy2) || (energy2 == 0)) { in AnalyzeSignal()
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