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author | Thomas White <taw@bitwiz.org.uk> | 2009-03-04 23:24:05 +0000 |
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committer | Thomas White <taw@bitwiz.org.uk> | 2009-03-04 23:24:05 +0000 |
commit | 14113b1f7a8c8efe26a7ba45e10c68828f3329a4 (patch) | |
tree | 07c0233a657e1fb625cafe5528810e93b89aa9e3 | |
parent | 489f3cc945fc8d74237f4447636268fc44d60aaa (diff) |
-rw-r--r-- | crystal.c | 3 | ||||
-rw-r--r-- | triclinator.run | 4 |
2 files changed, 4 insertions, 3 deletions
@@ -94,7 +94,8 @@ double plane_angle(Cell cell, double h1, double k1, double l1, d2 = dspacing(cell, h2, k2, l2); dd_over_Vsq = d1*d2 / pow(volume(cell), 2); - return acos(dd_over_Vsq * sum_S_terms); + /* Bodge to put the axes in the right place */ + return M_PI - acos(dd_over_Vsq * sum_S_terms); } diff --git a/triclinator.run b/triclinator.run index 34bceed..bb8e23c 100644 --- a/triclinator.run +++ b/triclinator.run @@ -20,11 +20,11 @@ 0.3 1 0 0 0 0 1 -84.2 +95.8 0.3 1 0 0 0 1 1 -86.86 +95.86 0.3 0.821 |