Tinker9
70bd052 (Thu Nov 9 12:11:35 2023 -0800)
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include
ff
ff/switch.h
1
#pragma once
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#include "ff/precision.h"
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4
namespace
tinker
{
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enum class
Switch
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{
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DEFAULT
,
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VDW
,
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REPULS
,
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DISP
,
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CHARGE
,
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CHGDPL
,
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DIPOLE
,
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MPOLE
,
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CHGTRN
,
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EWALD
,
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DEWALD
,
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USOLVE
,
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GKV
,
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GKSA
,
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};
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real
switchCut
(
Switch
mode);
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real
switchOff
(
Switch
mode);
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}
tinker::Switch
Switch
Definition:
ff/switch.h:7
tinker::switchOff
real switchOff(Switch mode)
tinker::switchCut
real switchCut(Switch mode)
tinker::Switch::GKV
@ GKV
tinker::Switch::DEFAULT
@ DEFAULT
tinker::Switch::GKSA
@ GKSA
tinker::Switch::DEWALD
@ DEWALD
tinker::Switch::EWALD
@ EWALD
tinker::Switch::USOLVE
@ USOLVE
tinker::Potent::CHARGE
@ CHARGE
Charge-charge potential.
tinker::Potent::REPULS
@ REPULS
Pauli repulsion term.
tinker::Potent::MPOLE
@ MPOLE
Multipole potential.
tinker::Potent::CHGTRN
@ CHGTRN
Charge transfer term.
tinker::Potent::DISP
@ DISP
Dispersion potential.
tinker::Potent::VDW
@ VDW
Van der Waals potential.
tinker::Potent::DIPOLE
@ DIPOLE
Dipole-dipole potential.
tinker::Potent::CHGDPL
@ CHGDPL
Charge-dipole potential.
tinker::real
float real
Definition:
precision.h:80
tinker
Definition:
testrt.h:9
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