Tinker9 70bd052 (Thu Nov 9 12:11:35 2023 -0800)
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pair_vlambda.h
1#pragma once
2#include "ff/evdw.h"
3#include "seq/seq.h"
4
5namespace tinker {
10inline real pair_vlambda(real vlam, Vdw vcouple, int imut, int kmut)
11{
12 real vlambda = 1;
13 if (vcouple == Vdw::DECOUPLE) {
14 vlambda = (imut == kmut ? 1 : vlam);
15 } else if (vcouple == Vdw::ANNIHILATE) {
16 vlambda = (imut || kmut ? vlam : 1);
17 }
18 return vlambda;
19}
20}
#define SEQ_ROUTINE
Definition: acc/seqdef.h:7
float real
Definition: precision.h:80
__device__ real pair_vlambda(real vlam, Vdw vcouple, int imut, int kmut)
Definition: pair_vlambda.h:10
Vdw
Constant flags for the VDW energy functions.
Definition: evdw.h:39
@ DECOUPLE
VDW lambda type: decouple.
@ ANNIHILATE
VDW lambda type: annihilate.
Definition: testrt.h:9
real vlam
Vdw vcouple