CASM
AClustersApproachtoStatisticalMechanics
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#include <boost/test/unit_test.hpp>
#include "casm/crystallography/Structure.hh"
#include "casm/clex/PrimClex.hh"
#include "casm/app/AppIO.hh"
#include "casm/casm_io/VaspIO.hh"
Go to the source code of this file.
Macros | |
#define | BOOST_TEST_DYN_LINK |
Functions | |
void | prim1_read_test (Structure &struc) |
void | prim2_read_test (Structure &struc) |
void | pos1_read_test (Structure &struc) |
BOOST_AUTO_TEST_CASE (PRIM1Test) | |
BOOST_AUTO_TEST_CASE (PRIM2Test) | |
BOOST_AUTO_TEST_CASE (POS1Test) | |
BOOST_AUTO_TEST_CASE (POS1Vasp5Test) | |
BOOST_AUTO_TEST_CASE (POS1jsonPrimTest) | |
#define BOOST_TEST_DYN_LINK |
Definition at line 1 of file Structure_test.cpp.
BOOST_AUTO_TEST_CASE | ( | PRIM1Test | ) |
Definition at line 160 of file Structure_test.cpp.
BOOST_AUTO_TEST_CASE | ( | PRIM2Test | ) |
Definition at line 178 of file Structure_test.cpp.
BOOST_AUTO_TEST_CASE | ( | POS1Test | ) |
Definition at line 187 of file Structure_test.cpp.
BOOST_AUTO_TEST_CASE | ( | POS1Vasp5Test | ) |
Definition at line 209 of file Structure_test.cpp.
BOOST_AUTO_TEST_CASE | ( | POS1jsonPrimTest | ) |
Definition at line 229 of file Structure_test.cpp.
void pos1_read_test | ( | Structure & | struc | ) |
POS1 ***************************** Face-centered Cubic (FCC, cF) 1.0 4.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 4.0 A B C 2 1 1 D 0.00 0.00 0.00 A 0.5 0.5 0.0 A 0.5 0.0 0.5 B 0.0 0.5 0.5 C POS1_vasp5_out ******************** Face-centered Cubic (FCC, cF) 1.00000000 4.00000000 0.00000000 0.00000000 0.00000000 4.00000000 0.00000000 0.00000000 0.00000000 4.00000000 A B C 2 1 1 Direct 0.0000000 0.0000000 0.0000000 0.5000000 0.5000000 0.0000000 0.5000000 0.0000000 0.5000000 0.0000000 0.5000000 0.5000000
Definition at line 131 of file Structure_test.cpp.
void prim1_read_test | ( | Structure & | struc | ) |
PRIM1 ***************************** Face-centered Cubic (FCC, cF) 1.0 0 2.0 2.0 2.0 0 2.0 2.0 2.0 0 1 D 0.00 0.00 0.00 A B C
Definition at line 25 of file Structure_test.cpp.
void prim2_read_test | ( | Structure & | struc | ) |
PRIM2 ***************************** Face-centered Cubic (FCC, cF) 1.0 4.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 4.0 2 1 1 D 0.00 0.00 0.00 A B C :: A 0.5 0.5 0.0 A B C :: A 0.5 0.0 0.5 A B C :: B 0.0 0.5 0.5 A B C :: C
Definition at line 66 of file Structure_test.cpp.