29#ifndef _MDCORE_INCLUDE_TFDPDPOTENTIAL_H_
30#define _MDCORE_INCLUDE_TFDPDPOTENTIAL_H_
36 struct CAPI_EXPORT DPDPotential :
public Potential {
47 DPDPotential(FPTYPE
alpha, FPTYPE
gamma, FPTYPE
sigma, FPTYPE cutoff,
bool shifted);
57 static DPDPotential *
fromPot(Potential *pot);
76 CPPAPI_FUNC(
DPDPotential*) DPDPotential_fromStr(
const std::string &str);
Include Python header, disable linking to pythonX_d.lib on Windows in debug mode.
Definition tfAngleConfig.h:26
Definition tfDPDPotential.h:36
std::string toString()
Get a JSON string representation.
FPTYPE sigma
Definition tfDPDPotential.h:45
static DPDPotential * fromPot(Potential *pot)
Convert basic potential to DPD.
FPTYPE gamma
Definition tfDPDPotential.h:42
FPTYPE alpha
Definition tfDPDPotential.h:39
static DPDPotential * fromString(const std::string &str)
Create from a JSON string representation.