diff options
-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 |