cal_pseudo_test Class Reference

Inheritance diagram for cal_pseudo_test:

Collaboration diagram for cal_pseudo_test:

Protected Attributes
surchem	solvent_model
UnitCell	ucell
Parallel_Grid	pgrid

Detailed Description

• Tested functions in cal_pseudo.cpp:
  • gauss_charge
    • calculate the gaussian pseudo core charge
  • cal_pseudo
    • add pseudo charge to rho

Member Data Documentation

pgrid

Parallel_Grid cal_pseudo_test::pgrid

protected

solvent_model

surchem cal_pseudo_test::solvent_model

protected

ucell

UnitCell cal_pseudo_test::ucell

protected

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The documentation for this class was generated from the following file:

• /home/runner/work/abacus-develop/abacus-develop/source/source_hamilt/module_surchem/test/cal_pseudo_test.cpp