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| wfc (int _nkpts) |
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| wfc (int _nkpts, int _nbnds) |
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| wfc (int _nkpts, int _nbnds, int _npw) |
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| wfc (wfc &wfc1, int min1, int max1, wfc &wfc2, int min2, int max2) |
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void | QE_read_binary_wfc (std::string filename, int, int, int) |
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void | QE_read_acsii_wfc (std::string filename) |
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void | QE_read_acsii_grid (std::string filename) |
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void | QE_read_acsii_index (std::string filename) |
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void | complete () |
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void | normalize () |
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void | transform (int k, CMATRIX &) |
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void | restore (int k1, int do_complete) |
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void | set_latt_vectors (boost::python::list) |
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void | set_reci_vectors (boost::python::list) |
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void | compute_Hprime (int minband, int maxband, std::string filename) |
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int | nspin |
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int | gamma_only |
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int | natoms |
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double | tpiba |
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double | alat |
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double | omega |
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double | efermi |
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std::string | cell_units |
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std::string | energy_units |
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vector< double > | a1 |
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vector< double > | a2 |
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vector< double > | a3 |
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vector< double > | b1 |
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vector< double > | b2 |
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vector< double > | b3 |
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int | nkpts |
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int | nbands |
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int | npw |
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int | is_allocated |
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vector< K_point > | kpts |
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vector< vector< int > > | grid |
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The documentation for this class was generated from the following files:
- /home/travis/build/Quantum-Dynamics-Hub/pyxaid2/PYXAID2/src_cpp/wfc.h
- /home/travis/build/Quantum-Dynamics-Hub/pyxaid2/PYXAID2/src_cpp/wfc_basic_methods.cpp
- /home/travis/build/Quantum-Dynamics-Hub/pyxaid2/PYXAID2/src_cpp/wfc_QE_methods.cpp
1.8.6
