LRTwoBodyJastrow::ValueType
LRTwoBodyJastrow::logRatio(ParticleSet& P, int iat,
ParticleSet::ParticleGradient_t& dG,
ParticleSet::ParticleLaplacian_t& dL) {
NeedToRestore=true;
const KContainer::VContainer_t& kpts(P.SK->KLists.kpts_cart);
const KContainer::SContainer_t& ksq(P.SK->KLists.ksq);
const Vector<ComplexType>& eikr1(P.SK->eikr_new);
const Vector<ComplexType>& del_eikr(P.SK->delta_eikr);
//add the difference
Rhok += del_eikr;
curVal=0.0; curLap=0.0; curGrad=0.0;
for(int jat=0;jat<NumPtcls; jat++) {
if(iat==jat) {
for(int ki=0; ki<NumKpts; ki++) {
//ComplexType rhok_new(Rhok[ki]+del_eikr[ki]);
//ComplexType skp((Fk[ki]*conj(eikr1[ki])*rhok_new));
ComplexType skp((Fk[ki]*conj(eikr1[ki])*Rhok[ki]));
#if defined(QMC_COMPLEX)
curVal += skp;
curGrad += ComplexType(skp.imag(),-skp.real())*kpts[ki];
curLap += ksq[ki]*(Fk[ki]-skp);
#else
curVal += skp.real();
curGrad += kpts[ki]*skp.imag();
curLap += ksq[ki]*(Fk[ki]-skp.real());
#endif
}
} else {
const ComplexType* restrict eikrj(P.SK->eikr[jat]);
GradType g;
ValueType l(0.0), v(0.0);
for(int ki=0; ki<NumKpts; ki++) {
ComplexType skp(Fk[ki]*del_eikr[ki]*conj(eikrj[ki]));
GradType dg(skp.imag()*kpts[ki]);
ValueType dl(skp.real()*ksq[ki]);
v += skp.real();
g +=dg;
l -= dl;
//dG[jat] += Fk[ki]*skp.imag()*kpts[ki];
//dL[jat] -= Fk[ki]*skp.real()*ksq[ki];
}
offU[jat]=v;
offdU[jat]=g;
offd2U[jat]=l;
dG[jat] += g;
dL[jat] += l;
}
}
dG[iat] += offdU[iat] = curGrad-dU[iat];
dL[iat] += offd2U[iat] = curLap-d2U[iat];
return offU[iat] = curVal-U[iat];
}
void onDrawContent(SkCanvas* canvas) override {
GraphicsPort skp(canvas);
doDraw(&skp);
const SkImageInfo info = SkImageInfo::MakeN32Premul(256, 256);
std::unique_ptr<SkCanvas> c2 =
SkRasterHandleAllocator::MakeCanvas(skstd::make_unique<MyAllocator>(), info);
MyPort cgp(c2.get());
doDraw(&cgp);
SkPixmap pm;
c2->peekPixels(&pm);
SkBitmap bm;
bm.installPixels(pm);
canvas->drawBitmap(bm, 280, 0, nullptr);
}
LRTwoBodyJastrow::ValueType
LRTwoBodyJastrow::ratio(ParticleSet& P, int iat) {
//restore, if called should do nothing
NeedToRestore=false;
curVal=0.0;
const KContainer::VContainer_t& kpts(P.SK->KLists.kpts_cart);
const Vector<ComplexType>& eikr1(P.SK->eikr_new);
const Vector<ComplexType>& del_eikr(P.SK->delta_eikr);
//Rhok += del_eikr;
for(int ki=0; ki<NumKpts; ki++) {
//ComplexType skp((Fk[ki]*conj(eikr1[ki])*Rhok[ki]));
ComplexType skp((Fk[ki]*conj(eikr1[ki])*(Rhok[ki]+del_eikr[ki])));
#if defined(QMC_COMPLEX)
curVal += skp;
#else
curVal += skp.real();
#endif
}
return std::exp(curVal-U[iat]);
}
LRTwoBodyJastrow::ValueType
LRTwoBodyJastrow::evaluateLog(ParticleSet& P,
ParticleSet::ParticleGradient_t& G,
ParticleSet::ParticleLaplacian_t& L) {
Rhok=0.0;
for(int spec1=0; spec1<NumSpecies; spec1++) {
const ComplexType* restrict rhok(P.SK->rhok[spec1]);
for(int ki=0; ki<NumKpts; ki++) {
Rhok[ki] += rhok[ki];
}
}
const KContainer::VContainer_t& kpts(P.SK->KLists.kpts_cart);
const KContainer::SContainer_t& ksq(P.SK->KLists.ksq);
ValueType sum(0.0);
for(int iat=0; iat<NumPtcls; iat++) {
ValueType res(0.0),l(0.0);
GradType g;
const ComplexType* restrict eikr(P.SK->eikr[iat]);
for(int ki=0; ki<NumKpts; ki++) {
ComplexType skp((Fk[ki]*conj(eikr[ki])*Rhok[ki]));
#if defined(QMC_COMPLEX)
res += skp;
l += ksq[ki]*(Fk[ki]-skp);
g += ComplexType(skp.imag(),-skp.real())*kpts[ki];
#else
res += skp.real();
g += kpts[ki]*skp.imag();
l += ksq[ki]*(Fk[ki]-skp.real());
#endif
}
sum+=(U[iat]=res);
G[iat]+=(dU[iat]=g);
L[iat]+=(d2U[iat]=l);
}
return sum*0.5;
}
static void client(const char* skpPath, const char* dataEndpoint) {
// Read the .skp.
SkAutoTUnref<const SkData> skp(SkData::NewFromFileName(skpPath));
if (!skp) {
SkDebugf("Couldn't read %s\n", skpPath);
exit(1);
}
SkMemoryStream stream(skp->data(), skp->size());
sk_sp<SkPicture> picture(SkPicture::MakeFromStream(&stream));
PictureHeader header;
SkRandom rand(picture->cullRect().width() * picture->cullRect().height());
SkScalar r = rand.nextRangeScalar(0, picture->cullRect().width()),
b = rand.nextRangeScalar(0, picture->cullRect().height()),
l = rand.nextRangeScalar(0, r),
t = rand.nextRangeScalar(0, b);
header.clip.setLTRB(l,t,r,b);
header.matrix.setTranslate(-l, -t);
header.matrix.postRotate(rand.nextRangeScalar(-25, 25));
header.alpha = 0x7F;
//Clients use NN_REQ (request) type sockets.
int socket = nn_socket(AF_SP, NN_REQ);
// Clients connect a socket to an endpoint.
nn_connect(socket, dataEndpoint);
// Send the picture and its header.
SkDebugf("Sending %s (%d bytes)...", skpPath, skp->size());
send_picture(socket, header, *skp);
// Wait for ack.
uint8_t ack;
nn_recv(socket, &ack, sizeof(ack), 0/*flags*/);
SkDebugf(" ok.\n");
}
