Added two new bonded functions.

[alexxy/gromacs.git] / src / gmxlib / ifunc.c

diff --git a/src/gmxlib/ifunc.c b/src/gmxlib/ifunc.c
index d0444c565be5bdf7e869df92cbfbad25af5bc675..13f0cf166811344cccaba9e5a3644a54c9c5fe2c 100644 (file)
--- a/src/gmxlib/ifunc.c
+++ b/src/gmxlib/ifunc.c
@@ -100,6 +100,7 @@ const t_interaction_function interaction_function[F_NRE]=
   def_bonded  ("RESTRAINTPOT", "Restraint Pot.", 2, 4, 4,  eNR_RESTRBONDS,  restraint_bonds ),
   def_angle   ("ANGLES",   "Angle",           3, 2, 2,  eNR_ANGLES, angles        ),
   def_angle   ("G96ANGLES","G96Angle",        3, 2, 2,  eNR_ANGLES, g96angles     ),
+  def_angle   ("LINEAR_ANGLES", "Lin. Angle", 3, 2, 2,  eNR_LINEAR_ANGLES, linear_angles ),
   def_bonded  ("CROSS_BOND_BOND", "Bond-Cross", 3, 3, 0,0,          cross_bond_bond ),
   def_bonded  ("CROSS_BOND_ANGLE","BA-Cross",   3, 4, 0,0,          cross_bond_angle ),
   def_angle   ("UREY_BRADLEY","U-B",          3, 4, 0,  0,          urey_bradley ),
@@ -134,6 +135,7 @@ const t_interaction_function interaction_function[F_NRE]=
   def_bondnb  ("POLARIZATION", "Polarization",2, 1, 0,  0,          polarize      ),
   def_bonded  ("WATERPOL", "Water Pol.",      5, 6, 0,  eNR_WPOL,   water_pol     ),
   def_bonded  ("THOLE",    "Thole Pol.",      4, 3, 0,  eNR_THOLE,  thole_pol     ),
+  def_bondnb  ("ANHARM_POL", "Anharm. Pol.",2, 3, 0, 0,          anharm_polarize      ),
   def_bonded  ("POSRES",   "Position Rest.",  1, 3, 3,  eNR_POSRES, unimplemented ),
   def_bonded  ("DISRES",   "Dis. Rest.",      2, 6, 0,  eNR_DISRES, ta_disres     ),
   def_nofc    ("DRVIOL",   "D.R.Viol. (nm)"                                       ),