// // File: MPQC_IntegralEvaluator3_Impl.cc // Symbol: MPQC.IntegralEvaluator3-v0.2 // Symbol Type: class // Babel Version: 0.10.2 // Description: Server-side implementation for MPQC.IntegralEvaluator3 // // WARNING: Automatically generated; only changes within splicers preserved // // babel-version = 0.10.2 // #include "MPQC_IntegralEvaluator3_Impl.hh" // DO-NOT-DELETE splicer.begin(MPQC.IntegralEvaluator3._includes) // Put additional includes or other arbitrary code here... // DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluator3._includes) // user-defined constructor. void MPQC::IntegralEvaluator3_impl::_ctor() { // DO-NOT-DELETE splicer.begin(MPQC.IntegralEvaluator3._ctor) // add construction details here // DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluator3._ctor) } // user-defined destructor. void MPQC::IntegralEvaluator3_impl::_dtor() { // DO-NOT-DELETE splicer.begin(MPQC.IntegralEvaluator3._dtor) // add destruction details here // DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluator3._dtor) } // static class initializer. void MPQC::IntegralEvaluator3_impl::_load() { // DO-NOT-DELETE splicer.begin(MPQC.IntegralEvaluator3._load) // guaranteed to be called at most once before any other method in this class // DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluator3._load) } // user-defined static methods: (none) // user-defined non-static methods: /** * Method: set_integral_package[] */ void MPQC::IntegralEvaluator3_impl::set_integral_package ( /* in */ const ::std::string& label ) throw () { // DO-NOT-DELETE splicer.begin(MPQC.IntegralEvaluator3.set_integral_package) // insert implementation here // DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluator3.set_integral_package) } /** * Initialize the evaluator. * @param bs1 Molecular basis on center 1. * @param bs2 Molecular basis on center 2. * @param bs3 Molecular basis on center 3. * @param label String specifying integral type. * @param max_deriv Max derivative to compute. */ void MPQC::IntegralEvaluator3_impl::initialize ( /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs1, /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs2, /* in */ ::Chemistry::QC::GaussianBasis::Molecular bs3, /* in */ const ::std::string& label, /* in */ int64_t max_deriv ) throw () { // DO-NOT-DELETE splicer.begin(MPQC.IntegralEvaluator3.initialize) // insert implementation here // DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluator3.initialize) } /** * Get the buffer pointer * @return Buffer pointer */ void* MPQC::IntegralEvaluator3_impl::get_buffer () throw () { // DO-NOT-DELETE splicer.begin(MPQC.IntegralEvaluator3.get_buffer) // insert implementation here // DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluator3.get_buffer) } /** * Compute a shell triplet of integrals. * @param shellnum1 Gaussian shell number 1. * @param shellnum2 Gaussian shell number 2. * @param shellnum3 Gaussian shell number 3. * @param deriv_level Derivative level. * @param deriv_ctr Derivative center descriptor. */ void MPQC::IntegralEvaluator3_impl::compute ( /* in */ int64_t shellnum1, /* in */ int64_t shellnum2, /* in */ int64_t shellnum3, /* in */ int64_t deriv_level, /* in */ ::Chemistry::QC::GaussianBasis::DerivCenters deriv_ctr ) throw () { // DO-NOT-DELETE splicer.begin(MPQC.IntegralEvaluator3.compute) // insert implementation here // DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluator3.compute) } /** * Compute a shell triplet of integrals and return as a borrowed * sidl array. * @param shellnum1 Gaussian shell number 1. * @param shellnum2 Gaussian shell number 2. * @param shellnum3 Gaussian shell number 3. * @param deriv_level Derivative level. * @param deriv_ctr Derivative center desctiptor. * @return Borrowed sidl array buffer. */ ::sidl::array MPQC::IntegralEvaluator3_impl::compute_array ( /* in */ int64_t shellnum1, /* in */ int64_t shellnum2, /* in */ int64_t shellnum3, /* in */ int64_t deriv_level, /* in */ ::Chemistry::QC::GaussianBasis::DerivCenters deriv_ctr ) throw () { // DO-NOT-DELETE splicer.begin(MPQC.IntegralEvaluator3.compute_array) // insert implementation here // DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluator3.compute_array) } // DO-NOT-DELETE splicer.begin(MPQC.IntegralEvaluator3._misc) // Put miscellaneous code here // DO-NOT-DELETE splicer.end(MPQC.IntegralEvaluator3._misc)