apply clang-format to some pair style headers

This commit is contained in:
Axel Kohlmeyer
2024-08-22 15:43:55 -04:00
parent 022d1d7959
commit 66d6804d23
17 changed files with 29 additions and 38 deletions

View File

@ -64,8 +64,7 @@ class PairAmoebaGPU : public PairAmoeba {
void udirect2b_cpu();
template<class numtyp>
void compute_force_from_torque(const numtyp*, double**, double*);
template <class numtyp> void compute_force_from_torque(const numtyp *, double **, double *);
};
} // namespace LAMMPS_NS

View File

@ -65,8 +65,7 @@ class PairHippoGPU : public PairAmoeba {
void udirect2b_cpu();
template<class numtyp>
void compute_force_from_torque(const numtyp*, double**, double*);
template <class numtyp> void compute_force_from_torque(const numtyp *, double **, double *);
};
} // namespace LAMMPS_NS

View File

@ -30,7 +30,6 @@ class PairAIPWATER2DM : virtual public PairILPTMD {
protected:
void settings(int, char **) override;
};
} // namespace LAMMPS_NS

View File

@ -39,7 +39,12 @@ class PairILPGrapheneHBN : public Pair {
static constexpr int NPARAMS_PER_LINE = 13;
enum { ILP_GrhBN, ILP_TMD, SAIP_METAL, AIP_WATER_2DM }; // for telling class variants apart in shared code
enum {
ILP_GrhBN,
ILP_TMD,
SAIP_METAL,
AIP_WATER_2DM
}; // for telling class variants apart in shared code
protected:
int me;

View File

@ -197,16 +197,10 @@ class PairMEAMSpline : public Pair {
}
/// Returns the number of bytes used by this function object.
double memory_usage() const
{
return sizeof(*this) + sizeof(X[0]) * N * 3;
}
double memory_usage() const { return sizeof(*this) + sizeof(X[0]) * N * 3; }
/// Returns the cutoff radius of this function.
double cutoff() const
{
return X[N - 1];
}
double cutoff() const { return X[N - 1]; }
/// Writes a Gnuplot script that plots the spline function.
void writeGnuplot(const char *filename, const char *title = nullptr) const;

View File

@ -187,16 +187,10 @@ class PairMEAMSWSpline : public Pair {
}
/// Returns the number of bytes used by this function object.
double memory_usage() const
{
return sizeof(*this) + sizeof(X[0]) * N * 3;
}
double memory_usage() const { return sizeof(*this) + sizeof(X[0]) * N * 3; }
/// Returns the cutoff radius of this function.
double cutoff() const
{
return X[N - 1];
}
double cutoff() const { return X[N - 1]; }
/// Writes a Gnuplot script that plots the spline function.
void writeGnuplot(const char *filename, const char *title = nullptr) const;

View File

@ -43,8 +43,10 @@ class PairQUIP : public Pair {
double init_one(int, int) override;
void allocate();
void *extract(const char *, int &);
protected:
double scale;
private:
double cutoff;
int *quip_potential;

View File

@ -20,8 +20,8 @@ PairStyle(aip/water/2dm/opt,PairAIPWATER2DMOpt);
#ifndef LMP_PAIR_AIP_WATER_2DM_OPT_H
#define LMP_PAIR_AIP_WATER_2DM_OPT_H
#include "pair_ilp_graphene_hbn_opt.h"
#include "pair_aip_water_2dm.h"
#include "pair_ilp_graphene_hbn_opt.h"
namespace LAMMPS_NS {

View File

@ -35,8 +35,8 @@ class PairILPGrapheneHBNOpt : virtual public PairILPGrapheneHBN {
protected:
void update_internal_list();
template <int MAX_NNEIGH>
void calc_atom_normal(int i, int itype, int *ILP_neigh, int nneigh, double *normal, double (*dnormdri)[3],
double (*dnormdrk)[3][3]);
void calc_atom_normal(int i, int itype, int *ILP_neigh, int nneigh, double *normal,
double (*dnormdri)[3], double (*dnormdrk)[3][3]);
template <int MAX_NNEIGH, int EFLAG, int VFLAG_EITHER, int TAP_FLAG, int VARIANT = ILP_GrhBN>
void eval();
int *layered_neigh;
@ -51,7 +51,6 @@ class PairILPGrapheneHBNOpt : virtual public PairILPGrapheneHBN {
SAIP_BNCH,
WATER,
};
};
} // namespace LAMMPS_NS