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Searched refs:Gsq (Results 1 – 25 of 25) sorted by relevance

/dports/science/jdftx/jdftx-1.6.0/jdftx/core/
H A DCoulomb_internal.h42 return Gsq ? (4*M_PI)/Gsq : 0.; in operator()
46 return (Gsq ? (8*M_PI)/(Gsq*Gsq) : 0.) * outer(vector3<>(iG)); in operator()
62 if(Gsq) in latticeGradient()
63 { double GsqInv = 1./Gsq; in latticeGradient()
89 return Gsq ? (4*M_PI) * (1. - cos(Rc*sqrt(Gsq)))/Gsq : (2*M_PI)*Rc*Rc; in operator()
95 return (Gsq ? (4*M_PI)*(2*(1.-cosGRc) - GRc*sinGRc)/(Gsq*Gsq) : 0.) * outer(vector3<>(iG)); in latticeGradient()
105 …return (Gsq ? (8*M_PI)*(1.-exp(-expFac*Gsq)*(1.+expFac*Gsq))/(Gsq*Gsq) : 0.) * outer(vector3<>(iG)… in latticeGradient()
188 { return (4*M_PI) * (omegaSq ? (1.-exp(-0.25*Gsq/omegaSq)) : 1.) / Gsq; in erfcTilde()
267 if(Gsq < thresholdSq) in operator()
283 if(Gsq > thresholdSq) in latticeGradient()
[all …]
H A DCoulombKernel.cpp112 double Gsq = GGT.metric_length_squared(iG); in recipSpace_thread()
113 out[i] = in[iDense].real() + (4*M_PI) * (Gsq ? (1.-exp(-hlfSigmaSq*Gsq))/Gsq : hlfSigmaSq); in recipSpace_thread()
119 …double minus_Vprime_by_G = Gsq ? (8*M_PI) * (1.-exp(-hlfSigmaSq*Gsq)*(1.+hlfSigmaSq*Gsq))/(Gsq*Gsq… in recipSpace_thread()
277 double Gsq = GGT.metric_length_squared(iG); in computePlane() local
278 curV += (4*M_PI) * (Gsq ? (1.-exp(-hlfSigmaSq*Gsq))/Gsq : hlfSigmaSq); in computePlane()
283 …double minus_Vprime_by_G = Gsq ? (8*M_PI) * (1.-exp(-hlfSigmaSq*Gsq)*(1.+hlfSigmaSq*Gsq))/(Gsq*Gsq… in computePlane()
H A DCoulombPeriodic.cpp110 { double Gsq = GGT.metric_length_squared(iG); in energyAndGrad() local
111 if(!Gsq) continue; //skip G=0 in energyAndGrad()
117 double eG = 4*M_PI * exp(-0.5*sigmaSq*Gsq)/(Gsq * detR); in energyAndGrad()
125 double minus_eGprime_by_G = eG * (sigmaSq + 2./Gsq); in energyAndGrad()
H A DCoulombSlab.cpp126 double Gsq = GGT.metric_length_squared(iG); in energyAndGrad() local
128 if(Gsq) in energyAndGrad()
129 { double G = sqrt(Gsq); in energyAndGrad()
137 …by_G = (zTerm - z12 *zTermPrime + sigma*sqrt(2./M_PI)*exp(-(0.5*sigmaSq*Gsq + etaSq*z12*z12)))/Gsq; in energyAndGrad()
H A DCoulomb_ExchangeEval.cpp51 { double Gsq = effGsq(g, GGT); in fSingular3D() local
52 if(omegaSq) return Gsq ? (1.-exp(-0.25*Gsq/omegaSq))*(4*M_PI)/Gsq : M_PI/omegaSq; in fSingular3D()
53 else return Gsq ? (4*M_PI)/Gsq : 0.; in fSingular3D()
70 { double Gsq = effGsq(g, GGT); in fSingular1D() local
71 if(omegaSq) return Gsq ? gsl_sf_expint_Ei(-0.25*Gsq/omegaSq)-log(Gsq) : M_EULER-log(4.*omegaSq); in fSingular1D()
72 else return Gsq ? log(4)-2*M_EULER-log(Gsq) : 0.; in fSingular1D()
H A DCoulombWire.cpp315 ( double Gsq = GGT.metric_length_squared(iG); in setVcylindrical()
317 double GplaneSq = Gsq - GaxisSq; in setVcylindrical()
322 double Vc0 = 4*M_PI/Gsq; in setVcylindrical()
336 …minus_Vc_Gplane_by_Gplane = 2.*Vc[i]/Gsq - (RGplane/GplaneSq)*Vc0*(xJ1prime*K0 - J0prime*(K1*RGaxi… in setVcylindrical()
337 …minus_Vc_Gaxis_by_Gaxis = 2.*Vc[i]/Gsq - (RGaxis/GaxisSq)*Vc0*((RGplane*J1)*K0prime - J0*xK1prime); in setVcylindrical()
H A DScalarFieldIO.cpp174 double Gsq = GGT.metric_length_squared(iG); in saveSphericalized()
175 if(Gsq>Gmax) Gmax = Gsq; in saveSphericalized()
H A DOperators_internal.h186 double Gsq = Gvec.length_squared();
190 gradTilde.xxr()[i] = minus_Xtilde*(Gvec.x()*Gvec.x() - (1.0/3)*Gsq);
191 gradTilde.yyr()[i] = minus_Xtilde*(Gvec.y()*Gvec.y() - (1.0/3)*Gsq);
H A DCoulomb.cpp372 inline void setIonKernel(int i, double Gsq, double expFac, double GzeroVal, double* kernel) in setIonKernel() argument
373 { kernel[i] = (4*M_PI) * (Gsq ? (1.-exp(-expFac*Gsq))/Gsq : GzeroVal); in setIonKernel()
H A DOperators.cpp225 inline void L_sub(int i, double Gsq, complex* v) in L_sub() argument
226 { v[i] *= Gsq; in L_sub()
243 inline void Linv_sub(int i, double Gsq, complex* v) in Linv_sub() argument
245 else v[i] /= Gsq; in Linv_sub()
323 double Gsq = GGT.metric_length_squared(iG); in LinvStress_thread()
324 double GsqInv = Gsq ? 1./Gsq : 0; in LinvStress_thread()
894 void initGaussianKernel_sub(int i, double Gsq, double expfac, double* X) in initGaussianKernel_sub() argument
895 { X[i] = exp(expfac*Gsq); in initGaussianKernel_sub()
H A DOperators.cu127 double Gsq = GGT.metric_length_squared(iG); in LinvStress_kernel() local
128 double GsqInv = Gsq ? 1./Gsq : 0; in LinvStress_kernel()
/dports/science/jdftx/jdftx-1.6.0/jdftx/electronic/
H A DSpeciesInfo_internal.h288 double Gsq = GGT.metric_length_squared(iG);
294 Vlocps[i] += SGinvVol * VlocRadial(sqrt(Gsq));
301 nChargeball[i] += SGinvVol * Zchargeball * exp(-0.5*Gsq*wChargeballSq);
304 if(nCore) nCore[i] += SGinvVol * nCoreRadial(sqrt(Gsq));
305 if(tauCore) tauCore[i] += SGinvVol * tauCoreRadial(sqrt(Gsq));
329 double Gsq = GGT.metric_length_squared(iG);
333 ccgrad_SGinvVol += ccgrad_Vlocps[i] * VlocRadial(sqrt(Gsq));
344 if(ccgrad_nCore) ccgrad_SGinvVol += ccgrad_nCore[i] * nCoreRadial(sqrt(Gsq));
345 if(ccgrad_tauCore) ccgrad_SGinvVol += ccgrad_tauCore[i] * tauCoreRadial(sqrt(Gsq));
390 double Gsq = GGT.metric_length_squared(iG);
[all …]
H A DSCF.cpp27 inline void setKernels(int i, double Gsq, double GminSq, bool mixDensity, double mixFraction, in setKernels() argument
30 …double GsqReg = kappaSq ? (Gsq + kappaSq) : std::max(Gsq, GminSq); //regularize to avoid G=0 issue… in setKernels()
/dports/science/jdftx/jdftx-1.6.0/jdftx/fluid/
H A DMixedFMT_internal.h35 double Gsq = Gvec.length_squared(); in tensorKernel_calc() local
39 mTilde.xxr()[i] = minus_nTilde*(Gvec.x()*Gvec.x() - (1.0/3)*Gsq); in tensorKernel_calc()
40 mTilde.yyr()[i] = minus_nTilde*(Gvec.y()*Gvec.y() - (1.0/3)*Gsq); in tensorKernel_calc()
49 double Gsq = Gvec.length_squared(); in tensorKernel_grad_calc() local
53 temp += grad_mTilde.xxr()[i]*(Gvec.x()*Gvec.x() - (1.0/3)*Gsq); in tensorKernel_grad_calc()
54 temp += grad_mTilde.yyr()[i]*(Gvec.y()*Gvec.y() - (1.0/3)*Gsq); in tensorKernel_grad_calc()
H A DNonlinearPCM.cpp43 inline void setMetric(int i, double Gsq, double qMetricSq, double* metric) in setMetric() argument
44 { metric[i] = qMetricSq ? Gsq / (qMetricSq + Gsq) : 1.; in setMetric()
/dports/devel/R-cran-broom/broom/R/
H A Dpolca-tidiers.R170 g.squared = x$Gsq,
/dports/net/kcalutils/kcalutils-21.12.3/autotests/data/
H A Ditip-event-with-recurrence-attachment-reminder.ical482 zaFYvyarUg+3R5GKXrU8jgqHIbeFijZDxcQJMWvwjS8ZuB/Gsq/JxXRHEthEvjPCZjkgnw+J3L
/dports/www/py-tuir/tuir-1.29.0/tests/cassettes/
H A Dtest_subreddit_open_xpost.yaml569 ocipK3YMz6Ycc5ZzAvFCEWzLc/1Nu/Hi5fjLp/Pf8+e5eBoqHnDuR/Gsq/pesuO+PwDv5fMlh4Kl
/dports/print/fontforge/fontforge-20201107/tests/fonts/
H A DFormalScript.sfd4949 !#ttu!$WQ(!("L.!)!GK!&=hq!!G(X!!Gsq!"+5V!+--7"/RaQ"<p/4(d`lU+bYXO63Ii"MumAe
/dports/www/flexget/Flexget-3.2.18/flexget/tests/cassettes/
H A Dtest_exists_movie.TestExistsMovie.test_lookup_imdb3535 7dviWVpzUJyft83rck/MAfCfogkZP0181a8yOwUe9sOcaQIBlziBIsvPmSZmqxWYpAMD/Gsq+JhO
/dports/security/vanguards-tor/vanguards-0.3.1/tests/
H A Dcached-microdesc-consensus34654 m Gsq/g8sA47kbkIGJ3C3Xu7bwBpZnp0RbXXVwll2KrPE
/dports/science/smoldyn/smoldyn-2.67/examples/S94_archive/Andrews_2016/excluded volume/
H A DExcludedVolme.nb73131 gisf7OH2jxuEmbCeCGnVHDb+rMu1qhjAz/Qu9v0Pp/Gsq/D5tuOd8PM9liAf
/dports/security/hashcat-legacy/hashcat-legacy-2.00/salts/
H A Dbrute-vbulletin.salt359942 Gsq
/dports/math/py-heyoka/heyoka.py-0.16.0/doc/notebooks/
H A DThe Maxwell-Boltzmann distribution.ipynb682795 "Gsq//hYzUcpQq9Vig4hI51JSUtClQytksbZAeV8vvH5tPMfbUdq5ubmhbdu2KFSokOgUo9WpUyfR\\\n",
H A Dtides_spokes.ipynb219251 "tm0bJ510Ep/85CfTe/WMlnD096C+Gsq/m/QkOc14VqZqjOiBAwcyc+ZM5syZk/RI6e/Vb0LlEphw\\\n",