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Searched refs:functorT (Results 1 – 25 of 45) sorted by relevance

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/dports/science/madness/madness-ebb3fd7/src/madness/mra/
H A Dtestsuite.cc210 functorT functor(new Gaussian<T,NDIM>(origin, expnt, coeff)); in test_basic()
264 functorT functor(new Gaussian<T,NDIM>(origin, expnt, coeff)); in test_conv()
350 functorT functor(new Gaussian<T,NDIM>(origin, expnt, coeff)); in test_math()
482 functorT f3(new BinaryOp<T,T,T,T(*)(T,T),NDIM>(f1,f2,p)); in test_math()
516 std::vector<functorT> funcres(nvfunc); in test_math()
547 functorT f3(new BinaryOp<T,T,T,T(*)(T,T),NDIM>(f1,f2,p)); in test_math()
568 functorT f3(new BinaryOp<T,T,T,T(*)(T,T),NDIM>(f1,f2,p)); in test_math()
606 functorT functor(new Gaussian<T,NDIM>(origin, expnt, coeff)); in test_diff()
692 functorT functor(new Gaussian<T,NDIM>(origin, expnt, coeff)); in test_op()
881 functorT fexact(new GaussianPotential(origin, expnt, coeff)); in test_coulomb()
[all …]
H A Dtestproj.cc74 typedef std::shared_ptr< FunctionFunctorInterface<T,NDIM> > functorT; in test_proj() typedef
96 functorT gaussfunctor(new Gaussian<T,NDIM>(origin, expnt, coeff)); in test_proj()
H A Dtestunaryop.cc73 typedef std::shared_ptr< FunctionFunctorInterface<T,NDIM> > functorT; in test_unaryop() typedef
88 …Function<T,NDIM> f = FunctionFactory<T,NDIM>(world).functor(functorT(new Gaussian<T,NDIM>(origin, … in test_unaryop()
H A Dtestbc.cc47 typedef std::shared_ptr< FunctionFunctorInterface<double,3> > functorT; typedef
152 functionT spha = factoryT(world).functor(functorT(new Sphere(coordT(0.0), 1.0, sigma))); in main()
153 functionT sphb = factoryT(world).functor(functorT(new Sphere(coordT(0.0), 3.0, sigma))); in main()
H A Dtestbsh.cc92 typedef std::shared_ptr< FunctionFunctorInterface<T,3> > functorT; in test_bsh() typedef
119 …Function<T,3> f = FunctionFactory<T,3>(world).functor(functorT(new Gaussian<T,3>(origin, expnt, co… in test_bsh()
H A Dmraplot.cc383 typedef std::shared_ptr< FunctionFunctorInterface<T, NDIM> > functorT; in doplot1() typedef
384 Function<T,NDIM> pFunc = factoryT(world).functor(functorT( in doplot1()
H A Dtestgaxpyext.cc10 typedef std::shared_ptr< FunctionFunctorInterface<double,3> > functorT; typedef
/dports/science/madness/madness-ebb3fd7/src/apps/chem/
H A Delectronic_correlation_factor.h349 typedef std::shared_ptr< FunctionFunctorInterface<double,6> > functorT; typedef
368 functorT R=functorT(new R_functor(_gamma,1)); in function()
373 functorT R2=functorT(new R_functor(_gamma,2)); in square()
378 functorT R=functorT(new R_functor(_gamma,-1)); in inverse()
384 functorT U1f=functorT(new U1_functor(_gamma,axis)); in U1()
390 functorT U2f=functorT(new U2_functor(_gamma)); in U2()
H A Dcorrelationfactor.h92 typedef std::shared_ptr< FunctionFunctorInterface<double,3> > functorT; typedef
114 functorT U1f=functorT(new U1_functor(this,axis)); in initialize()
121 functorT U2f=functorT(new U2_functor(this)); in initialize()
127 functorT U3f=functorT(new U3_functor(this)); in initialize()
157 functorT Rf=functorT(new R_functor(this,1)); in function()
H A DSCF.cc467 functorT aofunc( in project_ao_basis()
821 functorT func = functorT( in core_projector_derivative()
826 func = functorT( in core_projector_derivative()
923 functorT( in initial_guess()
1424 functorT func(new MolecularDerivativeFunctor(molecule, atom, axis)); in derivatives()
1431 func = functorT( in derivatives()
1495 functorT(new DipoleFunctor(axis))); in dipole_matrix_elements()
1530 .functor(functorT(new MomentFunctor(x))); in dipole()
2190 factoryT(world).functor(functorT(new DipoleFunctor(0))).initial_level( in propagate()
2193 factoryT(world).functor(functorT(new DipoleFunctor(1))).initial_level( in propagate()
[all …]
/dports/science/madness/madness-ebb3fd7/src/apps/nick/
H A Dextra.cc47 FunctionFactory<complexd,NDIM>(world).functor(functorT( in loadDefaultBasis()
322 functor(functorT(new BoundWF(Z, 1, 0, 0))); in compareGroundState()
324 functor(functorT(new BoundWF(Z, 2, 0, 0))); in compareGroundState()
326 functor(functorT(new BoundWF(Z, 3, 0, 0))); in compareGroundState()
328 functor(functorT(new BoundWF(Z, 4, 0, 0))); in compareGroundState()
332 functor(functorT(new BoundWF(Z, 1, 0, 0))); in compareGroundState()
454 complex_functionT b1s = complex_factoryT(world).functor(functorT( in belkic()
461 complex_functionT phi_k = complex_factoryT(world).functor(functorT( &phik )); in belkic()
465 complex_functionT expikDOTr = complex_factoryT(world).functor(functorT( in belkic()
H A Dhello.cc81 functor(functorT( new BoundWF(1.0, 1,0,0))); in doWork()
83 functor(functorT( new BoundWF(1.0, 2,0,0))); in doWork()
85 functor(functorT( new BoundWF(1.0, 2,1,0))); in doWork()
H A DprojPsi.cc235 complex_functionT expikr= complex_factoryT(world).functor(functorT( new Expikr(kVec) )); in testIntegral()
245 complex_functionT phiK_mad = complex_factoryT(world).functor(functorT( new PhiKAdaptor(phiK) )); in testIntegral()
251 complex_functionT gauss = complex_factoryT(world).functor(functorT( new Gaussian(a) )); in testIntegral()
331 functor(functorT( new BoundWF(Z, N, L, M))); in projectPsi()
367 phiK = complex_factoryT(world).functor(functorT( new Expikr(kVec) )); in projectPsi()
373 phiK = complex_factoryT(world).functor(functorT( new PhiKAdaptor(phik) )); in projectPsi()
H A Dwavef.h74 typedef std::shared_ptr< madness::FunctionFunctorInterface<complexd,NDIM> > functorT; typedef
/dports/science/madness/madness-ebb3fd7/src/apps/hf/
H A Dtest_he.cc252 typedef std::shared_ptr< FunctionFunctorInterface<double,3> > functorT; in test_hf_he() typedef
274 …FunctionFactory<double,3>(world).functor(functorT(new HeNuclearChargeDensityIGuess<double,3>(origi… in test_hf_he()
301 …FunctionFactory<double,3>(world).functor(functorT(new HeElectronicChargeDensityIGuess<double,3>(or… in test_hf_he()
361 typedef std::shared_ptr< FunctionFunctorInterface<double,3> > functorT; in test_he_potential() typedef
H A Dtest_hf.cc192 typedef std::shared_ptr< FunctionFunctorInterface<double,3> > functorT; in test_hf_h2() typedef
245 typedef std::shared_ptr< FunctionFunctorInterface<double,3> > functorT; in test_hf_he() typedef
324 typedef std::shared_ptr< FunctionFunctorInterface<double,3> > functorT; in test_hf_be() typedef
/dports/science/madness/madness-ebb3fd7/src/examples/
H A Doep.cc528 typedef std::shared_ptr< FunctionFunctorInterface<double,3> > functorT; in main() typedef
529 functorT vnuc_functor(new MolecularPotentialFunctor(calc->molecule)); in main()
560 refdens.get_impl()->read_grid<3>(keyfile,prefix+"refdens.xyzv",functorT()); in main()
564 recpot.get_impl()->read_grid<3>(keyfile,prefix+"recpot.xyzv",functorT()); in main()
H A Dcsqrt.cc42 typedef std::shared_ptr< FunctionFunctorInterface<std::complex<double>,1> > functorT; typedef
H A Dgraveyard46 typedef SharedPtr< FunctionFunctorInterface<double,3> > functorT;
151 functionT rho = factoryT(world).functor(functorT(new Test()));
164 rho = functionT(factoryT(world).functor(functorT(new Test())));
355 typedef SharedPtr< FunctionFunctorInterface<double,3> > functorT;
401 functionT rho = factoryT(world).functor(functorT(new MolecularDensityFunctor(molecule)));
630 typedef SharedPtr< FunctionFunctorInterface<double,3> > functorT;
664 …v[i] = functionT(factoryT(world).functor(functorT(RandomGaussian<double,3>(cell,100.0))).fence(fal…
686 …v[i] = functionT(factoryT(world).functor(functorT(RandomGaussian<double,3>(cell,1000.0))).fence(fa…
H A Dheat.cc67 typedef std::shared_ptr< FunctionFunctorInterface<double,3> > functorT; typedef
H A Dhefxc.cc34 typedef std::shared_ptr< FunctionFunctorInterface<double,3> > functorT; typedef
/dports/science/madness/madness-ebb3fd7/src/apps/polar/
H A Dmcpfit.cc49 typedef std::shared_ptr< FunctionFunctorInterface<double,3> > functorT; typedef
548 …functionT nc_over_r = factoryT(world).functor(functorT(new NcOverR(2*ncore, smoothing_parameter(2*… in make_reference()
593 … functionT core = factoryT(world).functor(functorT(new CoreOrbitalFunctor(corepot, atn, c, m))); in make_reference()
620 …u1 = functionT(factoryT(world).functor(functorT(new PotentialBasisFunctor(cp.n[i], cp.alpha[i], cp… in project_potential_basis()
632 …functionT umcp = factoryT(world).functor(functorT(new CorePotentialFunctor(cp))).thresh(FunctionDe… in make_Upsi()
687 functionT rf = factoryT(world).functor(functorT(new RadiusFunctor())); in calc_optimal_coeffs()
762 functionT rf = factoryT(world).functor(functorT(new RadiusFunctor())); in compute_residuals()
/dports/science/madness/madness-ebb3fd7/src/apps/moldft/
H A Dmcpfit.cc49 typedef std::shared_ptr< FunctionFunctorInterface<double,3> > functorT; typedef
549 …functionT nc_over_r = factoryT(world).functor(functorT(new NcOverR(2*ncore, smoothing_parameter(2*… in make_reference()
594 … functionT core = factoryT(world).functor(functorT(new CoreOrbitalFunctor(corepot, atn, c, m))); in make_reference()
621 …u1 = functionT(factoryT(world).functor(functorT(new PotentialBasisFunctor(cp.n[i], cp.alpha[i], cp… in project_potential_basis()
633 …functionT umcp = factoryT(world).functor(functorT(new CorePotentialFunctor(cp))).thresh(FunctionDe… in make_Upsi()
688 functionT rf = factoryT(world).functor(functorT(new RadiusFunctor())); in calc_optimal_coeffs()
763 functionT rf = factoryT(world).functor(functorT(new RadiusFunctor())); in compute_residuals()
/dports/lang/purescript/purescript-0.14.5/tests/purs/passing/
H A DNewtypeEff.purs12 instance functorT :: Functor T where
H A DDerivingFunctor.purs21 derive instance functorT :: Functor T

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