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apply clang-format to some pair style headers

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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
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3
src/GPU/pair_amoeba_gpu.h
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@ -64,8 +64,7 @@ class PairAmoebaGPU : public PairAmoeba {
void udirect2b_cpu(); void udirect2b_cpu();
template<class numtyp> template <class numtyp> void compute_force_from_torque(const numtyp *, double **, double *);
void compute_force_from_torque(const numtyp*, double**, double*);
}; };
} // namespace LAMMPS_NS } // namespace LAMMPS_NS

3
src/GPU/pair_hippo_gpu.h
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@ -65,8 +65,7 @@ class PairHippoGPU : public PairAmoeba {
void udirect2b_cpu(); void udirect2b_cpu();
template<class numtyp> template <class numtyp> void compute_force_from_torque(const numtyp *, double **, double *);
void compute_force_from_torque(const numtyp*, double**, double*);
}; };
} // namespace LAMMPS_NS } // namespace LAMMPS_NS

1
src/INTERLAYER/pair_aip_water_2dm.h
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@ -30,7 +30,6 @@ class PairAIPWATER2DM : virtual public PairILPTMD {
protected: protected:
void settings(int, char **) override; void settings(int, char **) override;
}; };
} // namespace LAMMPS_NS } // namespace LAMMPS_NS

7
src/INTERLAYER/pair_ilp_graphene_hbn.h
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@ -39,7 +39,12 @@ class PairILPGrapheneHBN : public Pair {
static constexpr int NPARAMS_PER_LINE = 13; 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: protected:
int me; int me;

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

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

2
src/ML-QUIP/pair_quip.h
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@ -43,8 +43,10 @@ class PairQUIP : public Pair {
double init_one(int, int) override; double init_one(int, int) override;
void allocate(); void allocate();
void *extract(const char *, int &); void *extract(const char *, int &);
protected: protected:
double scale; double scale;
private: private:
double cutoff; double cutoff;
int *quip_potential; int *quip_potential;

2
src/OPT/pair_aip_water_2dm_opt.h
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@ -20,8 +20,8 @@ PairStyle(aip/water/2dm/opt,PairAIPWATER2DMOpt);
#ifndef LMP_PAIR_AIP_WATER_2DM_OPT_H #ifndef LMP_PAIR_AIP_WATER_2DM_OPT_H
#define 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_aip_water_2dm.h"
#include "pair_ilp_graphene_hbn_opt.h"
namespace LAMMPS_NS { namespace LAMMPS_NS {

5
src/OPT/pair_ilp_graphene_hbn_opt.h
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@ -35,8 +35,8 @@ class PairILPGrapheneHBNOpt : virtual public PairILPGrapheneHBN {
protected: protected:
void update_internal_list(); void update_internal_list();
template <int MAX_NNEIGH> template <int MAX_NNEIGH>
void calc_atom_normal(int i, int itype, int *ILP_neigh, int nneigh, double *normal, double (*dnormdri)[3], void calc_atom_normal(int i, int itype, int *ILP_neigh, int nneigh, double *normal,
double (*dnormdrk)[3][3]); double (*dnormdri)[3], double (*dnormdrk)[3][3]);
template <int MAX_NNEIGH, int EFLAG, int VFLAG_EITHER, int TAP_FLAG, int VARIANT = ILP_GrhBN> template <int MAX_NNEIGH, int EFLAG, int VFLAG_EITHER, int TAP_FLAG, int VARIANT = ILP_GrhBN>
void eval(); void eval();
int *layered_neigh; int *layered_neigh;
@ -51,7 +51,6 @@ class PairILPGrapheneHBNOpt : virtual public PairILPGrapheneHBN {
SAIP_BNCH, SAIP_BNCH,
WATER, WATER,
}; };
}; };
} // namespace LAMMPS_NS } // namespace LAMMPS_NS