/dports/science/madness/madness-ebb3fd7/src/madness/mra/ |
H A D | testsuite.cc | 210 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 …]
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H A D | testproj.cc | 74 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()
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H A D | testunaryop.cc | 73 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()
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H A D | testbc.cc | 47 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()
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H A D | testbsh.cc | 92 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()
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H A D | mraplot.cc | 383 typedef std::shared_ptr< FunctionFunctorInterface<T, NDIM> > functorT; in doplot1() typedef 384 Function<T,NDIM> pFunc = factoryT(world).functor(functorT( in doplot1()
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H A D | testgaxpyext.cc | 10 typedef std::shared_ptr< FunctionFunctorInterface<double,3> > functorT; typedef
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/dports/science/madness/madness-ebb3fd7/src/apps/chem/ |
H A D | electronic_correlation_factor.h | 349 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()
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H A D | correlationfactor.h | 92 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()
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H A D | SCF.cc | 467 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 …]
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/dports/science/madness/madness-ebb3fd7/src/apps/nick/ |
H A D | extra.cc | 47 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()
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H A D | hello.cc | 81 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()
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H A D | projPsi.cc | 235 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()
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H A D | wavef.h | 74 typedef std::shared_ptr< madness::FunctionFunctorInterface<complexd,NDIM> > functorT; typedef
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/dports/science/madness/madness-ebb3fd7/src/apps/hf/ |
H A D | test_he.cc | 252 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
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H A D | test_hf.cc | 192 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
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/dports/science/madness/madness-ebb3fd7/src/examples/ |
H A D | oep.cc | 528 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()
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H A D | csqrt.cc | 42 typedef std::shared_ptr< FunctionFunctorInterface<std::complex<double>,1> > functorT; typedef
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H A D | graveyard | 46 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…
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H A D | heat.cc | 67 typedef std::shared_ptr< FunctionFunctorInterface<double,3> > functorT; typedef
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H A D | hefxc.cc | 34 typedef std::shared_ptr< FunctionFunctorInterface<double,3> > functorT; typedef
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/dports/science/madness/madness-ebb3fd7/src/apps/polar/ |
H A D | mcpfit.cc | 49 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()
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/dports/science/madness/madness-ebb3fd7/src/apps/moldft/ |
H A D | mcpfit.cc | 49 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()
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/dports/lang/purescript/purescript-0.14.5/tests/purs/passing/ |
H A D | NewtypeEff.purs | 12 instance functorT :: Functor T where
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H A D | DerivingFunctor.purs | 21 derive instance functorT :: Functor T
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