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/dports/devel/py-cclib/cclib-1.7.1/data/Turbomole/basicTurbomole7.4/CO_cc2_TD/
H A Dexstates80 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
/dports/audio/praat/praat-6.2.03/test/fon/
H A Dfourier.praat25 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'
H A DsoundFiles.praat8 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'
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ccsd_t/
H A Dccsd_t.F69 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 …]
H A Dccsd_t_gpu.F3 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,'+')
H A Dccsd_t_6dts.F2 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)
H A Dlambda_ccsd_t.F4 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)
H A Dccsd_t_dot.F29 & energy1,energy2)
42 double precision energy1,energy2
108 energy1 = energy1 + denom*doub
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ccsd_t/
H A Dccsd_t.F61 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 …]
H A Dccsd_t_gpu.F3 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,'+')
H A Dccsd_t_6dts.F2 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)
H A Dlambda_ccsd_t.F4 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)
H A Dccsd_t_dot.F21 & energy1,energy2)
34 double precision energy1,energy2
100 energy1 = energy1 + denom*doub
/dports/science/ascent/ascent-0.7.1-66-gbcf2742a/src/examples/proxies/cloverleaf3d-ref/
H A Dadvec_cell_kernel.f9044 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 …]
H A Dreset_field_kernel.f9031 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)
H A Drevert_kernel.f9037 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)
/dports/biology/protomol/protomol/framework/forces/
H A DOneAtomPairTwoFull.h147 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 …]
H A DOneAtomPairTwo.h145 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()
/dports/biology/protomol/protomol/applications/iSGProtomol-app/forces/
H A DiSGOneAtomPairTwoFull.h148 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 …]
H A DiSGOneAtomPairTwo.h144 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()
/dports/devel/py-cclib/cclib-1.7.1/data/Turbomole/basicTurbomole7.4/CO_adc2_TD/
H A Dexstates69 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
/dports/science/madness/madness-ebb3fd7/src/apps/chem/
H A Dmolopt.h168 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
/dports/www/qt5-webengine/qtwebengine-everywhere-src-5.15.2/src/3rdparty/chromium/third_party/webrtc/modules/audio_coding/neteq/
H A Dexpand.cc504 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()
/dports/net-im/tg_owt/tg_owt-d578c76/src/modules/audio_coding/neteq/
H A Dexpand.cc504 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()
/dports/www/chromium-legacy/chromium-88.0.4324.182/third_party/webrtc/modules/audio_coding/neteq/
H A Dexpand.cc504 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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