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MPQC
3.0.0-alpha
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This is the complete list of members for sc::GaussianShell, including all inherited members.
| am() const | sc::GaussianShell | inline |
| am(int con) const | sc::GaussianShell | inline |
| amchar(int con) const | sc::GaussianShell | inline |
| amtypes (defined in sc::GaussianShell) | sc::GaussianShell | static |
| AMTYPES (defined in sc::GaussianShell) | sc::GaussianShell | static |
| Cartesian enum value (defined in sc::GaussianShell) | sc::GaussianShell | |
| class_desc() const MPQC__NOEXCEPT | sc::DescribedClass | |
| class_name() const | sc::DescribedClass | |
| class_version() const | sc::DescribedClass | |
| coefficient_norm(int con, int prim) const | sc::GaussianShell | |
| coefficient_unnorm(int con, int prim) const | sc::GaussianShell | inline |
| coefficient_unnorm_block() const | sc::GaussianShell | inline |
| contraction_to_function(int c) const | sc::GaussianShell | inline |
| dereference() | sc::RefCount | inline |
| DescribedClass() (defined in sc::DescribedClass) | sc::DescribedClass | |
| DescribedClass(const DescribedClass &) (defined in sc::DescribedClass) | sc::DescribedClass | |
| epsilon() | sc::GaussianShell | inlinestatic |
| equiv(const GaussianShell &s) const | sc::GaussianShell | |
| exponent(int iprim) const | sc::GaussianShell | inline |
| exponents() const | sc::GaussianShell | inline |
| extent(double threshold) const | sc::GaussianShell | |
| FromStateIn(GaussianShell &s, StateIn &si, int &count) | sc::GaussianShell | friend |
| function_to_contraction(int f) const | sc::GaussianShell | inline |
| GaussianShell() (defined in sc::GaussianShell) | sc::GaussianShell | inline |
| GaussianShell(const std::vector< unsigned int > &am, const std::vector< bool > &puream, const std::vector< double > &exps, const std::vector< double > &contr_coefs, PrimitiveType pt=GaussianShell::Normalized, bool normalize_shell=true) | sc::GaussianShell | |
| GaussianShell(const Ref< KeyVal > &kv, int pure=-1) | sc::GaussianShell | |
| GaussianShell(const GaussianShell &other) | sc::GaussianShell | |
| GaussianShell(int ncn, int nprm, double *e, int *am, int *pure, double **c, PrimitiveType pt=GaussianShell::Normalized, bool do_normalize_shell=true) | sc::GaussianShell | |
| GaussianShell(int ncn, int nprm, double *e, int *am, GaussianType pure, double **c, PrimitiveType pt=GaussianShell::Normalized) | sc::GaussianShell | |
| GaussianType enum name (defined in sc::GaussianShell) | sc::GaussianShell | |
| grad_values(CartesianIter **, SphericalTransformIter **, const SCVector3 &R, double *g_values, double *basis_values=0) const | sc::GaussianShell | |
| has_cartesian() const | sc::GaussianShell | inline |
| has_pure() const | sc::GaussianShell | inline |
| hessian_values(CartesianIter **, SphericalTransformIter **, const SCVector3 &R, double *h_values, double *g_values=0, double *basis_values=0) const | sc::GaussianShell | |
| identifier() const | sc::RefCount | inline |
| is_cartesian(int con) const | sc::GaussianShell | inline |
| is_pure(int con) const | sc::GaussianShell | inline |
| is_pure() const | sc::GaussianShell | inline |
| lock_ptr() const | sc::RefCount | |
| managed() const (defined in sc::RefCount) | sc::RefCount | inline |
| max_am() const | sc::GaussianShell | inline |
| max_angular_momentum() const | sc::GaussianShell | inline |
| max_cartesian() const | sc::GaussianShell | |
| min_am() const | sc::GaussianShell | inline |
| min_angular_momentum() const | sc::GaussianShell | inline |
| monobound(double r) const | sc::GaussianShell | |
| ncartesian() const | sc::GaussianShell | inline |
| ncartesian(int con) const | sc::GaussianShell | inline |
| ncartesian_with_aminc(int aminc) const | sc::GaussianShell | |
| ncontraction() const | sc::GaussianShell | inline |
| nfunction() const | sc::GaussianShell | inline |
| nfunction(int con) const | sc::GaussianShell | |
| Normalized enum value (defined in sc::GaussianShell) | sc::GaussianShell | |
| nprimitive() const | sc::GaussianShell | inline |
| nreference() const | sc::RefCount | inline |
| operator=(const DescribedClass &) (defined in sc::DescribedClass) | sc::DescribedClass | |
| operator=(const RefCount &) (defined in sc::RefCount) | sc::RefCount | inlineprotected |
| PrimitiveType enum name (defined in sc::GaussianShell) | sc::GaussianShell | |
| print(std::ostream &=ExEnv::out0()) const | sc::GaussianShell | virtual |
| Pure enum value (defined in sc::GaussianShell) | sc::GaussianShell | |
| ref() | sc::DescribedClass | inline |
| RefCount() (defined in sc::RefCount) | sc::RefCount | inlineprotected |
| RefCount(const RefCount &) (defined in sc::RefCount) | sc::RefCount | inlineprotected |
| reference() | sc::RefCount | inline |
| relative_overlap(const Ref< Integral > &, int con, int func1, int func2) const | sc::GaussianShell | |
| relative_overlap(int con, int a1, int b1, int c1, int a2, int b2, int c2) const | sc::GaussianShell | |
| ToStateOut(const GaussianShell &s, StateOut &so, int &count) | sc::GaussianShell | friend |
| unit() | sc::GaussianShell | static |
| unlock_ptr() const | sc::RefCount | |
| unmanage() | sc::RefCount | inline |
| Unnormalized enum value (defined in sc::GaussianShell) | sc::GaussianShell | |
| use_locks(bool inVal) | sc::RefCount | |
| values(CartesianIter **, SphericalTransformIter **, const SCVector3 &r, double *basis_values) | sc::GaussianShell | |
| ~DescribedClass() (defined in sc::DescribedClass) | sc::DescribedClass | virtual |
| ~GaussianShell() (defined in sc::GaussianShell) | sc::GaussianShell | |
| ~RefCount() (defined in sc::RefCount) | sc::RefCount | virtual |