amoeba/induce.h

#pragma once
#include "ff/precision.h"
 
namespace tinker {
// electrostatic field due to permanent multipoles
void dfield(real (*field)[3], real (*fieldp)[3]);
void dfieldNonEwald(real (*field)[3], real (*fieldp)[3]);
void dfieldEwald(real (*field)[3], real (*fieldp)[3]);
void dfieldEwaldRecipSelfP1(real (*field)[3]);
 
// mutual electrostatic field due to induced dipole moments
// -Tu operator
void ufield(const real (*uind)[3], const real (*uinp)[3], real (*field)[3], real (*fieldp)[3]);
void ufieldNonEwald(const real (*uind)[3], const real (*uinp)[3], //
   real (*field)[3], real (*fieldp)[3]);
void ufieldEwald(const real (*uind)[3], const real (*uinp)[3], real (*field)[3], real (*fieldp)[3]);
 
void diagPrecond(const real (*rsd)[3], const real (*rsdp)[3], real (*zrsd)[3], real (*zrsdp)[3]);
 
void sparsePrecondBuild();
void sparsePrecondApply(const real (*rsd)[3], const real (*rsdp)[3], //
   real (*zrsd)[3], real (*zrsdp)[3]);
 
void ulspredSave(const real (*uind)[3], const real (*uinp)[3]);
void ulspredSum(real (*uind)[3], real (*uinp)[3]);
 
void inducePrint(const real (*ud)[3]);
void induce(real (*uind)[3], real (*uinp)[3]);
}
 
//          | h        | cpp        | acc            | cu
// field    | induce.h | field.cpp  | acc/field*.cpp | field.cu
// pcg      | --       | --         | acc/induce.cpp | pcg.cu
// precond  | induce.h | induce.cpp | acc/induce.cpp | precond.cu
// upredict | induce.h | induce.cpp | acc/induce.cpp | --