Tinker9 70bd052 (Thu Nov 9 12:11:35 2023 -0800)
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hippo/induce.h
1#pragma once
2#include "ff/precision.h"
3
4namespace tinker {
7// electrostatic field due to permanent multipoles
8void dfieldChgpen(real (*field)[3]);
9
10// mutual electrostatic field due to induced dipole moments
11// -Tu operator
12void ufieldChgpen(const real (*uind)[3], real (*field)[3]);
13void ufieldChgpenEwaldRecipSelf(const real (*uind)[3], real (*field)[3]);
14
15void diagPrecond2(const real (*rsd)[3], real (*zrsd)[3]);
16
18void sparsePrecondApply2(const real (*rsd)[3], real (*zrsd)[3]);
19
20void induce2(real (*uind)[3]);
22}
23
24namespace tinker {
25void dfieldAplus(real (*field)[3]);
26void ufieldAplus(const real (*uind)[3], real (*field)[3]);
27void sparsePrecondApply3(const real (*rsd)[3], real (*zrsd)[3]);
28}
void sparsePrecondApply2(const real(*rsd)[3], real(*zrsd)[3])
void sparsePrecondBuild2()
void ufieldChgpenEwaldRecipSelf(const real(*uind)[3], real(*field)[3])
void diagPrecond2(const real(*rsd)[3], real(*zrsd)[3])
void induce2(real(*uind)[3])
void dfieldChgpen(real(*field)[3])
void ufieldChgpen(const real(*uind)[3], real(*field)[3])
float real
Definition: precision.h:80
Definition: testrt.h:9
void ufieldAplus(const real(*uind)[3], real(*field)[3])
real(* uind)[3]
void dfieldAplus(real(*field)[3])
void sparsePrecondApply3(const real(*rsd)[3], real(*zrsd)[3])