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unit_conversion.h File Reference

Go to the source code of this file.

Defines

#define BOHR_TO_ANGS   0.529177210859
#define ANGS_TO_BOHR   1.88972612478289694072
#define HARTREE_TO_KCAL   627.5094706142
#define HARTREE_TO_EV   27.211383860484776


Define Documentation

#define ANGS_TO_BOHR   1.88972612478289694072
 

Definition at line 25 of file unit_conversion.h.

Referenced by print_input_data, and write_timestep.

#define BOHR_TO_ANGS   0.529177210859
 

Definition at line 24 of file unit_conversion.h.

Referenced by DEN_POT_WFK_read_next_timestep, DEN_read_volumetric_data, DEN_read_volumetric_metadata, GEO_read_next_timestep, get_coordinates, get_fmoxyz, get_int_hessian, get_traj_frame, parse_static_data, POT_read_volumetric_metadata, read_cpmd_timestep, and read_molden_structure.

#define HARTREE_TO_EV   27.211383860484776
 

Definition at line 32 of file unit_conversion.h.

Referenced by POT_read_volumetric_data.

#define HARTREE_TO_KCAL   627.5094706142
 

Definition at line 29 of file unit_conversion.h.

Referenced by get_int_hessian.


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