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.