Tinker9 70bd052 (Thu Nov 9 12:11:35 2023 -0800)
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ff/switch.h
1#pragma once
2#include "ff/precision.h"
3
4namespace tinker {
6enum class Switch
7{
9 VDW,
10 REPULS,
11 DISP,
12 CHARGE,
13 CHGDPL,
14 DIPOLE,
15 MPOLE,
16 CHGTRN,
17 EWALD,
18 DEWALD,
19 USOLVE,
20 GKV,
21 GKSA,
22};
23
27
31}
Switch
Definition: ff/switch.h:7
real switchOff(Switch mode)
real switchCut(Switch mode)
@ CHARGE
Charge-charge potential.
@ REPULS
Pauli repulsion term.
@ MPOLE
Multipole potential.
@ CHGTRN
Charge transfer term.
@ DISP
Dispersion potential.
@ VDW
Van der Waals potential.
@ DIPOLE
Dipole-dipole potential.
@ CHGDPL
Charge-dipole potential.
float real
Definition: precision.h:80
Definition: testrt.h:9