Searched refs:expFac (Results 1 – 3 of 3) sorted by relevance
| /dports/science/jdftx/jdftx-1.6.0/jdftx/wannier/ |
| H A D | WannierMinimizer.h | 236 double expFac = alphaInvBy4 * GGT.metric_length_squared(iGq); in operator() local
237 if(expFac > 1e-16 and expFac < 36.) //i.e. G != 0 and gaussian non-zero at double precision in operator()
238 …result += cis((-2*M_PI)*dot(iGq,atpos)) * exp(-expFac) * dot(ZeffLat, iGq) / epsInfLat.metric_leng… in operator()
295 double expFac = alphaInvBy4 * GGT.metric_length_squared(iGq); in operator() local
296 if(expFac > 1e-16 and expFac < 36.) //i.e. G != 0 and gaussian non-zero at double precision in operator()
298 …result += cis((-2*M_PI)*dot(iGq,atpos)) * exp(-expFac) * dot(Zeff, iGqCart) * wkernel(iGqCart) * (… in operator()
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| /dports/science/jdftx/jdftx-1.6.0/jdftx/core/ |
| H A D | Coulomb.cpp | 372 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()
445 double expFac = 0.5*ionWidth*ionWidth; in Coulomb() local
446 double GzeroVal = expFac; in Coulomb()
448 GzeroVal -= expFac * det(Diag(embedScale)); in Coulomb()
449 applyFuncGsq(gInfoOrig, setIonKernel, expFac, GzeroVal, ionKernel->data()); in Coulomb()
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| H A D | Coulomb_internal.h | 101 { double expFac; member
102 CoulombIonKernel_calc(double ionWidth) : expFac(0.5*ionWidth*ionWidth) {} in CoulombIonKernel_calc()
105 …return (Gsq ? (8*M_PI)*(1.-exp(-expFac*Gsq)*(1.+expFac*Gsq))/(Gsq*Gsq) : 0.) * outer(vector3<>(iG)… in latticeGradient()
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