Skip to content
Permalink
Browse files

Merge #3225

3225: Remove Affinity r=KaiSzuttor a=fweik

Fixes #3224.


Co-authored-by: Florian Weik <fweik@icp.uni-stuttgart.de>
  • Loading branch information...
bors and fweik committed Oct 2, 2019
2 parents fc08e8a + aeddcb6 commit 9dc1e0606165237913b594dc71a1f081b94d624d
@@ -444,8 +444,6 @@ Fluid dynamics and fluid structure interaction
- ``LB_BOUNDARIES_GPU``
- ``AFFINITY``
- ``LB_ELECTROHYDRODYNAMICS`` Enables the implicit calculation of electro-hydrodynamics for charged
particles and salt ions in an electric field.
@@ -77,6 +77,5 @@
#define OIF_GLOBAL_FORCES
#define OIF_LOCAL_FORCES
#define MEMBRANE_COLLISION
#define AFFINITY

#define ADDITIONAL_CHECKS
@@ -92,7 +92,6 @@ THOLE requires ELECTROSTATICS
/* Fluid-Structure Interactions (object in fluid) */
OIF_LOCAL_FORCES
OIF_GLOBAL_FORCES
AFFINITY requires EXPERIMENTAL_FEATURES
MEMBRANE_COLLISION requires EXPERIMENTAL_FEATURES

/* Immersed-Boundary Bayreuth version */
@@ -115,7 +115,6 @@ set(EspressoCore_SRC
nonbonded_interactions/smooth_step.cpp
nonbonded_interactions/thole.cpp
nonbonded_interactions/wca.cpp
object-in-fluid/affinity.cpp
object-in-fluid/membrane_collision.cpp
object-in-fluid/oif_global_forces.cpp
object-in-fluid/oif_local_forces.cpp
@@ -56,7 +56,6 @@
#include "nonbonded_interactions/thole.hpp"
#include "nonbonded_interactions/wca.hpp"
#include "npt.hpp"
#include "object-in-fluid/affinity.hpp"
#include "object-in-fluid/membrane_collision.hpp"
#include "object-in-fluid/oif_global_forces.hpp"
#include "object-in-fluid/oif_local_forces.hpp"
@@ -248,18 +247,6 @@ inline void add_non_bonded_pair_force(Particle &p1, Particle &p2,
torque2 = &_torque2;
#endif

/***********************************************/
/* bond creation and breaking */
/***********************************************/

#ifdef AFFINITY
/* affinity potential */
// Prevent jump to non-inlined function
if (dist < ia_params.affinity.cut) {
force += affinity_pair_force(p1, p2, ia_params, d, dist);
}
#endif

/***********************************************/
/* non-bonded pair potentials */
/***********************************************/
@@ -148,10 +148,6 @@ static double recalc_maximal_cutoff(const IA_parameters &data) {
(data.soft_sphere.cut + data.soft_sphere.offset));
#endif

#ifdef AFFINITY
max_cut_current = std::max(max_cut_current, data.affinity.cut);
#endif

#ifdef MEMBRANE_COLLISION
max_cut_current = std::max(max_cut_current, data.membrane.cut);
#endif
@@ -135,17 +135,6 @@ struct SoftSphere_Parameters {
double offset = 0.0;
};

/** affinity potential */
struct Affinity_Parameters {
int type = -1;
double kappa = INACTIVE_CUTOFF;
double r0 = INACTIVE_CUTOFF;
double Kon = INACTIVE_CUTOFF;
double Koff = INACTIVE_CUTOFF;
double maxBond = INACTIVE_CUTOFF;
double cut = INACTIVE_CUTOFF;
};

/** membrane collision potential */
struct Membrane_Parameters {
double a = 0.0;
@@ -252,10 +241,6 @@ struct IA_parameters {
SoftSphere_Parameters soft_sphere;
#endif

#ifdef AFFINITY
Affinity_Parameters affinity;
#endif

#ifdef MEMBRANE_COLLISION
Membrane_Parameters membrane;
#endif

This file was deleted.

This file was deleted.

0 comments on commit 9dc1e06

Please sign in to comment.
You can’t perform that action at this time.