RgenTest Class Reference

Inheritance diagram for RgenTest:

Collaboration diagram for RgenTest:

Protected Member Functions
void	SetUp () override

Protected Attributes
ModuleBase::Matrix3	latvec
ModuleBase::Matrix3	G
ModuleBase::Vector3< double >	dtau

Detailed Description

• Tested Functions:
  • H_Ewald_pw::rgen():
    • Generates lattice vectors R such that |R - dtau| <= rmax, and returns them sorted by ascending magnitude.
    • Tested cases:
      1. rmax == 0.0: no vectors returned.
      2. Simple cubic cell, small rmax: correct count + sorted order.
      3. Large rmax exceeding original fixed mxr=200 limit: verifies that the dynamic mxr sizing introduced in the bug fix works correctly and does not overflow the allocated arrays.

Member Function Documentation

SetUp()

void RgenTest::SetUp ( )

inlineoverrideprotected

Member Data Documentation

dtau

ModuleBase::Vector3<double> RgenTest::dtau

protected

G

ModuleBase::Matrix3 RgenTest::G

protected

latvec

ModuleBase::Matrix3 RgenTest::latvec

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/test/rgen_test.cpp