Merge pull request #2338 from KaiSzuttor/remove_angle_dist

core: remove angle_dist bond.
espressomd · Oct 27, 2018 · c362574 · c362574
2 parents 7e251a2 + 95e163b
commit c362574
Show file tree

Hide file tree

Showing 13 changed files with 1 addition and 307 deletions.
diff --git a/doc/sphinx/installation.rst b/doc/sphinx/installation.rst
@@ -545,10 +545,6 @@ following features.
 
 -  ``BOND_ANGLE``
 
--  ``BOND_ANGLEDIST``
-
--  ``BOND_ANGLEDIST_HARMONIC``
-
 -  ``LJGEN_SOFTCORE``
 
 -  ``COS2``

diff --git a/maintainer/configs/immersed_boundaries.hpp b/maintainer/configs/immersed_boundaries.hpp
@@ -66,5 +66,3 @@ along with this program.  If not, see <http://www.gnu.org/licenses/>.
 #define OVERLAPPED
 
 #define BOND_ANGLE
-#define BOND_ANGLEDIST
-#define BOND_ANGLEDIST_HARMONIC
diff --git a/maintainer/configs/maxset.hpp b/maintainer/configs/maxset.hpp
@@ -74,8 +74,6 @@ along with this program.  If not, see <http://www.gnu.org/licenses/>.
 #define THOLE
 
 #define BOND_ANGLE
-#define BOND_ANGLEDIST
-#define BOND_ANGLEDIST_HARMONIC
 
 #define EXPERIMENTAL_FEATURES
 

diff --git a/maintainer/configs/nocheck-maxset.hpp b/maintainer/configs/nocheck-maxset.hpp
@@ -69,8 +69,6 @@ along with this program.  If not, see <http://www.gnu.org/licenses/>.
 #define THOLE
 
 #define BOND_ANGLE
-#define BOND_ANGLEDIST
-#define BOND_ANGLEDIST_HARMONIC
 
 #define VIRTUAL_SITES_RELATIVE
 

diff --git a/src/core/bonded_interactions/CMakeLists.txt b/src/core/bonded_interactions/CMakeLists.txt
@@ -1,7 +1,6 @@
 add_library(bonded_interactions SHARED
     angle_cosine.cpp
     angle_cossquare.cpp
-    angle_dist.cpp
     angle_harmonic.cpp
     bonded_coulomb.cpp
     bonded_coulomb_p3m_sr.cpp

diff --git a/src/core/bonded_interactions/angle_dist.cpp b/src/core/bonded_interactions/angle_dist.cpp
diff --git a/src/core/bonded_interactions/angle_dist.hpp b/src/core/bonded_interactions/angle_dist.hpp
diff --git a/src/core/bonded_interactions/bonded_interaction_data.hpp b/src/core/bonded_interactions/bonded_interaction_data.hpp
@@ -36,9 +36,6 @@ enum BondedInteraction {
   BONDED_IA_RIGID_BOND,
   /** Type of a virtual bond*/
   BONDED_IA_VIRTUAL_BOND,
-  /** Type of bonded interaction is a bond angle -- constraint distance
-     potential. */
-  BONDED_IA_ANGLEDIST,
   /** Type of bonded interaction is a bond angle cosine potential. */
   BONDED_IA_ANGLE_HARMONIC,
   /** Type of bonded interaction is a bond angle cosine potential. */

diff --git a/src/core/energy_inline.hpp b/src/core/energy_inline.hpp
@@ -28,7 +28,6 @@
 
 #include "bonded_interactions/angle_cosine.hpp"
 #include "bonded_interactions/angle_cossquare.hpp"
-#include "bonded_interactions/angle_dist.hpp"
 #include "bonded_interactions/angle_harmonic.hpp"
 #include "bonded_interactions/bonded_interaction_data.hpp"
 #include "bonded_interactions/bonded_tab.hpp"
@@ -394,11 +393,6 @@ inline void add_bonded_energy(Particle *p1) {
         bond_broken = angle_cossquare_energy(p1, p2, p3, iaparams, &ret);
         break;
 #endif
-#ifdef BOND_ANGLEDIST
-      case BONDED_IA_ANGLEDIST:
-        bond_broken = angledist_energy(p1, p2, p3, iaparams, &ret);
-        break;
-#endif
 #ifdef TABULATED
       case BONDED_IA_TABULATED:
         if (iaparams->num == 2)

diff --git a/src/core/forces_inline.hpp b/src/core/forces_inline.hpp
@@ -25,7 +25,6 @@
 
 #include "bonded_interactions/angle_cosine.hpp"
 #include "bonded_interactions/angle_cossquare.hpp"
-#include "bonded_interactions/angle_dist.hpp"
 #include "bonded_interactions/angle_harmonic.hpp"
 #include "bonded_interactions/bonded_tab.hpp"
 #include "bonded_interactions/dihedral.hpp"
@@ -617,11 +616,6 @@ inline void add_bonded_force(Particle *p1) {
               calc_tab_angle_force(p1, p2, p3, iaparams, force, force2);
         break;
 #endif
-#ifdef BOND_ANGLEDIST
-      case BONDED_IA_ANGLEDIST:
-        bond_broken = calc_angledist_force(p1, p2, p3, iaparams, force, force2);
-        break;
-#endif
 #ifdef IMMERSED_BOUNDARY
       case BONDED_IA_IBM_TRIEL:
         bond_broken = IBM_Triel_CalcForce(p1, p2, p3, iaparams);

diff --git a/src/core/pressure_inline.hpp b/src/core/pressure_inline.hpp
@@ -188,10 +188,6 @@ inline void calc_bonded_force(Particle *p1, Particle *p2,
     (*i)++;
     force[0] = force[1] = force[2] = 0;
     break;
-  case BONDED_IA_ANGLEDIST:
-    (*i)++;
-    force[0] = force[1] = force[2] = 0;
-    break;
   case BONDED_IA_DIHEDRAL:
     (*i) += 2;
     force[0] = force[1] = force[2] = 0;
@@ -426,9 +422,7 @@ inline void add_three_body_bonded_stress(Particle *p1) {
       i = i + 2;
     }
 #endif
-    else if (type == BONDED_IA_ANGLEDIST) {
-      i = i + 3;
-    } else if (type == BONDED_IA_DIHEDRAL) {
+    else if (type == BONDED_IA_DIHEDRAL) {
       i = i + 4;
     }
 #ifdef TABULATED

diff --git a/src/features.def b/src/features.def
@@ -116,9 +116,6 @@ MEMBRANE_COLLISION
 
 BOND_ANGLE                      requires not BOND_ANGLE_OLD
 
-BOND_ANGLEDIST
-BOND_ANGLEDIST_HARMONIC         implies BOND_ANGLEDIST
-
 /* Immersed-Boundary Bayreuth version */
 IMMERSED_BOUNDARY
 IMMERSED_BOUNDARY               requires VIRTUAL_SITES