Inlined the weighting coefficients of the last 3 terms in scoring_functon::precalculate
Unrolled s.f[k] and s.t[k] in ligand::evaluate
Replaced 6 + (--t) by --t and initializing t = 6 + nt in ligand::evaluate
Merged the calculation of forces and torques of ROOT frame into the logic for BRANCH frames
Renamed parent_rotorY_to_current_rotorY to yy and parent_rotorX_to_current_rotorY to xy
Inlined qtn4_to_mat3 in ligand::evaluate
Inlined operator*(mat3, vec3) in ligand::evaluate
Replaced 7 + t++ by t++ and initialized t = 7. Used registers to hold s.a[i]
Inlined vec4_to_qtn4 and operator*(qtn4, qtn4) in ligand::evaluate