diff options
| author | Thomas White <taw@physics.org> | 2019-08-16 10:21:30 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2019-08-22 17:03:28 +0200 |
| commit | 29cce73cf8b97dc7e58ebc94e5ddc42a70c98233 (patch) | |
| tree | e8e0d980287eddd4ce38f071d31983964c7827de /tests | |
| parent | 0b8430c5401803690c8ca659b533d0b1d3b022e0 (diff) | |
Determine cell reduction tolerance automatically
Diffstat (limited to 'tests')
| -rw-r--r-- | tests/cellcompare_check.c | 11 |
1 files changed, 4 insertions, 7 deletions
diff --git a/tests/cellcompare_check.c b/tests/cellcompare_check.c index d0f51da5..f5787753 100644 --- a/tests/cellcompare_check.c +++ b/tests/cellcompare_check.c @@ -207,7 +207,7 @@ static void yaro_test() } -extern IntegerMatrix *reduce_g6(struct g6 g, double eps); +extern IntegerMatrix *reduce_g6(struct g6 g, double epsrel); int main(int argc, char *argv[]) { @@ -232,12 +232,9 @@ int main(int argc, char *argv[]) cell_print(cref); struct g6 g; g = cell_get_G6(cref); - double eps = pow(cell_get_volume(cref), 1.0/3.0) * 1e-5; - eps = eps*eps; - //eps *= 100; - //g.A = 9.0e-20; g.B = 27.0e-20; g.C = 4.0e-20; - //g.D = -5.0e-20; g.E = -4.0e-20; g.F = -22.0e-20; - IntegerMatrix *M = reduce_g6(g, eps); + g.A = 9.0e-20; g.B = 27.0e-20; g.C = 4.0e-20; + g.D = -5.0e-20; g.E = -4.0e-20; g.F = -22.0e-20; + IntegerMatrix *M = reduce_g6(g, 1e-5); STATUS("The transformation to reduce:\n"); intmat_print(M); STATUS("The reduced cell:\n"); |