Tinker9 70bd052 (Thu Nov 9 12:11:35 2023 -0800)
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cumodamoeba.h
1#pragma once
2#include "ff/amoeba/mpole.h"
3#include "ff/precision.h"
4
5namespace tinker {
6// multipole
7namespace d {
8TINKER_EXTERN __device__
10TINKER_EXTERN __device__
11const real (*restrict pole)[MPL_TOTAL];
12TINKER_EXTERN __device__
14}
15
16// polarization
17namespace d {
18TINKER_EXTERN __device__
19int njpolar;
20TINKER_EXTERN __device__
21const int* restrict jpolar;
22TINKER_EXTERN __device__
23const real* restrict thlval;
24
25TINKER_EXTERN __device__
27TINKER_EXTERN __device__
28const real* restrict thole;
29TINKER_EXTERN __device__
30const real* restrict pdamp;
31
32TINKER_EXTERN __device__
34}
35}
#define restrict
Definition: macro.h:51
#define TINKER_EXTERN
Definition: macro.h:108
float real
Definition: precision.h:80
__device__ int njpolar
__device__ const real *__restrict__ thole
__device__ const int *__restrict__ jpolar
__device__ const LocalFrame *__restrict__ zaxis
__device__ const real *__restrict__ thlval
__device__ const real *__restrict__ polarity_inv
__device__ const real *__restrict__ pdamp
__device__ const real *__restrict__ polarity
Definition: testrt.h:9
@ MPL_TOTAL
Definition: mpole.h:16
real(* rpole)[MPL_TOTAL]
real(* pole)[MPL_TOTAL]
Local axis type and x,y,z-axis defining atoms for each multipole site.
Definition: mpole.h:31