Jacobian.signf(a,m,n)

Jacobian.dq_dx(type, cartesians, coord_i)

Jacobian.dq2_dxdy(type, cartesians, coord_i, coord_j)

Jacobian.dq_dx_bond(cartesians, coord_i)

Arguments:

• cartesians - Array (2) of Coordinate
• coord_i - index of the coordinate (0,1)

Jacobian.dq_dx_angle(cartesians, coord_i)

Arguments:

• cartesians - Array (3) of Coordinate
• coord_i - index of the coordinate (0,1,2)

Jacobian.dq_dx_torsion(cartesians, coord_i)

Arguments:

• cartesians - Array (4) of Coordinate
• coord_i - index of the coordinate (0,1,2,3)

Jacobian.dq_dx_bond_num(cartesians, coord_i)

Numerical equivalent of Jacobian.dq_dx_bond

Jacobian.dq_dx_distinv_num(cartesians, coord_i)

Numerical equivalent of Jacobian.dq_dx_bond

Jacobian.dq_dx_angle_num(cartesians, coord_i)

Numerical equivalent of Jacobian.dq_dx_angle

Jacobian.dq_dx_torsion_num(cartesians, coord_i)

Numerical equivalent of Jacobian.dq_dx_torsion

Jacobian.dq2_dxdy_bond(cartesians, coord_i, coord_j)

Arguments:

• cartesians - Array (2) of Coordinate
• coord_i - index of the coordinate (0,1)
• coord_j - index of the coordinate (0,1)

Jacobian.dq2_dxdy_bond_num(cartesians, coord_i, coord_j)

Jacobian.dq2_dxdy_angle_num(cartesians, coord_i, coord_j)

Jacobian.dq2_dxdy_torsion_num(cartesians, coord_i, coord_j)