shell_vec_functions.cpp File Reference
Include dependency graph for shell_vec_functions.cpp:
Namespaces | |
| mpqc | |
| The top-level namespace for all Massively Parallel Quantum Chemistry package. | |
| mpqc::lcao | |
| mpqc::lcao::gaussian | |
Functions | |
| int64_t | mpqc::lcao::gaussian::max_am (ShellVec const &) |
| Returns the maximum angular momement of any shell in the vector. More... | |
| int64_t | mpqc::lcao::gaussian::max_nprim (ShellVec const &) |
| Returns the maximum number of primatives of any shell in the vector. More... | |
| int64_t | mpqc::lcao::gaussian::nfunctions (ShellVec const &) |
| Returns the maximum number of primatives of any shell in the vector. More... | |
| std::vector< std::vector< libint2::Shell > > | mpqc::lcao::gaussian::reblock_basis (std::vector< libint2::Shell > shells, std::size_t blocksize) |
