ergo
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Constants for conversion between units for some common units like Angstrom, electron-volt (eV), Kelvin etc. More...
#include "realtype.h"
Go to the source code of this file.
Macros | |
#define | UNIT_one_Angstrom ((ergo_real)(1.0 / 0.5291772083)) |
#define | UNIT_one_Debye 0.393456 |
#define | UNIT_one_eV 0.036749322 |
#define | UNIT_one_Kelvin 3.16681046e-06 |
Constants for conversion between units for some common units like Angstrom, electron-volt (eV), Kelvin etc.
#define UNIT_one_Angstrom ((ergo_real)(1.0 / 0.5291772083)) |
Referenced by compute_grid(), compute_h_core_matrix_sparse(), SCF_unrestricted::create_gabedit_file(), SCF_restricted::create_gabedit_file(), es_mol_unit_angstrom(), SCF_restricted::get_expected_values_pos_operator(), readMoleculeFileInMolFormat(), readMoleculeFileInXyzFormat(), and SCF_general::SCF_general().
#define UNIT_one_Debye 0.393456 |
#define UNIT_one_eV 0.036749322 |
#define UNIT_one_Kelvin 3.16681046e-06 |
Referenced by SCF_general::do_SCF_iterations().