From 90ae915b5a7961a36e6a33509b16229244c6615a Mon Sep 17 00:00:00 2001 From: Jaron Kent-Dobias Date: Sun, 1 Jul 2018 00:52:31 -0400 Subject: fixed both the system for determining bond energy and how global state is tracked --- lib/dihedral.h | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) (limited to 'lib/dihedral.h') diff --git a/lib/dihedral.h b/lib/dihedral.h index e5e4cbd..c95b23a 100644 --- a/lib/dihedral.h +++ b/lib/dihedral.h @@ -11,9 +11,11 @@ typedef struct { dihedral_t *dihedral_compose(q_t q, q_t gti, const dihedral_t *g2); -q_t dihedral_act(q_t q, q_t gi, q_t s); +q_t dihedral_act(q_t q, q_t gi, bool r, q_t s); q_t dihedral_inverse_act(q_t q, const dihedral_t *g, q_t s); q_t *dihedral_gen_transformations(q_t q); +R_t *dihedral_gen_involutions(q_t q); +R_t factorial(q_t); -- cgit v1.2.3-70-g09d2