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ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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#include <gtest/gtest.h>#include "source_io/cif_io.h"#include <cmath>#include <random>#include "source_base/formatter.h"#include <fstream>#include <mpi.h>Functions | |
| TEST (CifParserTest, ReadSimpleTest) | |
| TEST (CifParserTest, ReadMediumTest) | |
| TEST (CifParserTest, WriteTest) | |
| int | main (int argc, char **argv) |
Variables | |
| const std::string | mp2516584 |
| const std::string | cod1000065 |
| int main | ( | int | argc, |
| char ** | argv | ||
| ) |
| TEST | ( | CifParserTest | , |
| ReadMediumTest | |||
| ) |
| TEST | ( | CifParserTest | , |
| ReadSimpleTest | |||
| ) |
| TEST | ( | CifParserTest | , |
| WriteTest | |||
| ) |
| const std::string cod1000065 |
| const std::string mp2516584 |
this is the unittest for ABACUS i/o interface with Crystal Information File (CIF) format.
Intergrately, there are two examples, one easier, one more complicated.