Update and rename pair_3b_table.h to pair_threebody_table.h

changed pair style and file name of header file from 3b/table to threebody/table
This commit is contained in:
Christoph Scherer
2022-06-01 15:52:46 +02:00
committed by GitHub
parent ebce66389e
commit 5756dedfed

View File

@ -13,21 +13,21 @@
#ifdef PAIR_CLASS
// clang-format off
PairStyle(3b/table,Pair3BTable);
PairStyle(threebody/table,PairThreebodyTable);
// clang-format on
#else
#ifndef LMP_PAIR_3B_TABLE_H
#define LMP_PAIR_3B_TABLE_H
#ifndef LMP_PAIR_THREEBODY_TABLE_H
#define LMP_PAIR_THREEBODY_TABLE_H
#include "pair.h"
namespace LAMMPS_NS {
class Pair3BTable : public Pair {
class PairThreebodyTable : public Pair {
public:
Pair3BTable(class LAMMPS *);
~Pair3BTable() override;
PairThreebodyTable(class LAMMPS *);
~PairThreebodyTable() override;
void compute(int, int) override;
void coeff(int, char **) override;
double init_one(int, int) override;
@ -37,7 +37,7 @@ class Pair3BTable : public Pair {
// no write or read from binary restart file
// struct for 3b/table
// struct for threebody/table
struct Table {
int ninput;
double rmin, rmax;
@ -54,7 +54,7 @@ class Pair3BTable : public Pair {
int keywordlength; // length of key in table
char *keyword; // key in table
int tabstyle, tablength; // length of interpolation table (not ninput) and style
Table *mltable; // 3b Table
Table *mltable; // threebody table
};
protected: