cal_vcav_test Class Reference

Inheritance diagram for cal_vcav_test:

Collaboration diagram for cal_vcav_test:

Protected Attributes
surchem	solvent_model
UnitCell	ucell

Detailed Description

• Tested functions in cal_vcav.cpp:
  • lapl_rho
    • calculate Laplacian(rho)
  • shape_gradn
    • calculate first derivative of the shape function
  • createcavity
    • calculate cavitation energy
  • cal_vcav
    • calculate cavitation potential

Member Data Documentation

solvent_model

surchem cal_vcav_test::solvent_model

protected

ucell

UnitCell cal_vcav_test::ucell

protected

---

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_vcav_test.cpp