ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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symmetry_test_cases.h File Reference
#include "symmetry_test.h"
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Variables

std::vector< stru_stru_lib
 
std::vector< stru_supercell_lib
 

Variable Documentation

◆ stru_lib

std::vector<stru_> stru_lib

switch(ibrav) { case 1: return "01. Cubic P (simple)"; case 2: return "02. Cubic I (body-centered)"; case 3: return "03. Cubic F (face-centered)"; case 4: return "04. Hexagonal cell"; case 5: return "05. Tetrogonal P (simple)"; case 6: return "06. Tetrogonal I (body-centered)"; case 7: return "07. Rhombohedral (Trigonal) cell"; case 8: return "08. Orthorhombic P(simple)"; case 9: return "09. Orthorhombic I (body-centered)"; case 10: return "10. Orthorhombic F (face-centered)"; case 11: return "11. Orthorhombic C (base-centered)"; case 12: return "12. Monoclinic P (simple)"; case 13: return "13. Monoclinic A (base-center)"; case 14: return "14. Triclinic cell"; case 15: return "wrong !! "; }

◆ supercell_lib

std::vector<stru_> supercell_lib