+For example, assume that the 3 vectors A,B,C are the edge +vectors of a general parallelipied, where there is no directional +requirements A,B,C other than they are not co-linear and that +C dotted into (A x B) be > 0, i.e. the vectors are ordered to +satisfy a right-hand rule. The equivalent LAMMPS a,b,c vectors +can be computed as follows where A = |A| = scalar length of A. +
+
+There is no requirement that a triclinic box be periodic in any dimension, though it typically should be in at least the 2nd dimension of the tilt (y in xy) if you want to enforce a shift in periodic diff --git a/doc/Section_howto.txt b/doc/Section_howto.txt index 1f14a0a51b..83465e5895 100644 --- a/doc/Section_howto.txt +++ b/doc/Section_howto.txt @@ -776,6 +776,15 @@ arbitrary vectors. As indicated, [a] must be aligned with the x axis, not a restriction since it is possible to rotate any set of 3 crystal basis vectors so that they meet this restriction. +For example, assume that the 3 vectors [A],[B],[C] are the edge +vectors of a general parallelipied, where there is no directional +requirements [A],[B],[C] other than they are not co-linear and that +[C] dotted into ([A] x [B]) be > 0, i.e. the vectors are ordered to +satisfy a right-hand rule. The equivalent LAMMPS [a],[b],[c] vectors +can be computed as follows where A = |[A]| = scalar length of [A]. + +:c,image(Eqs/transform.jpg) + There is no requirement that a triclinic box be periodic in any dimension, though it typically should be in at least the 2nd dimension of the tilt (y in xy) if you want to enforce a shift in periodic