"platforms/hip/tests/TestHipDispersionPME.cpp" did not exist on "ba2503b5d17458e991f3bb649332b4f021f97e4d"
Commit 3b4dca22 authored by peastman's avatar peastman
Browse files

Removed obsolete reference multipole code

parent bfc34052
......@@ -24,9 +24,6 @@
#ifndef __AmoebaReferenceMultipoleForce_H__
#define __AmoebaReferenceMultipoleForce_H__
#define SPHERICAL_MULTIPOLES 1
#define DEBUG_MULTIPOLES 0
#include "RealVec.h"
#include "openmm/AmoebaMultipoleForce.h"
#include "AmoebaReferenceGeneralizedKirkwoodForce.h"
......@@ -41,7 +38,6 @@ typedef MapIntRealOpenMM::iterator MapIntRealOpenMMI;
typedef MapIntRealOpenMM::const_iterator MapIntRealOpenMMCI;
#if SPHERICAL_MULTIPOLES
// A few useful constants for the spherical harmonic multipole code.
const RealOpenMM oneThird = 1.0/3.0;
const RealOpenMM twoThirds = 2.0/3.0;
......@@ -53,7 +49,6 @@ const RealOpenMM sqrtThree = sqrt(3.0);
const RealOpenMM oneNinth = 1.0/9.0;
const RealOpenMM fourOverFortyFive = 4.0/45.0;
const RealOpenMM fourOverFifteen = 4.0/15.0;
#endif // SPHERICAL_MULTIPOLES
/**
......@@ -608,10 +603,8 @@ protected:
RealOpenMM charge;
RealVec dipole;
RealOpenMM quadrupole[6];
#if SPHERICAL_MULTIPOLES
RealVec sphericalDipole;
RealOpenMM sphericalQuadrupole[5];
#endif
RealOpenMM thole;
RealOpenMM dampingFactor;
RealOpenMM polarity;
......@@ -818,7 +811,6 @@ protected:
const MultipoleParticleData& particleX,
MultipoleParticleData* particleY, int axisType) const;
#if SPHERICAL_MULTIPOLES
/**
* Forms the rotation matrix for the quasi-internal coordinate system,
* which is the rotation matrix that describes the orientation of the
......@@ -853,7 +845,6 @@ protected:
* @param D2 The output spherical harmonic quadrupole rotation matrix
*/
void buildPartialSphericalQuadrupoleRotationMatrix(const RealOpenMM (&D1)[3][3], RealOpenMM (&D2)[3][5]) const;
#endif
/**
* Apply rotation matrix to molecular dipole/quadrupoles to get corresponding lab frame values.
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment