apply clang-format to some pair style headers
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@ -26,7 +26,7 @@ namespace LAMMPS_NS {
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class PairLJSFDipoleSF : public Pair {
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public:
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PairLJSFDipoleSF(class LAMMPS *_lmp) : Pair(_lmp){};
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PairLJSFDipoleSF(class LAMMPS *_lmp) : Pair(_lmp) {};
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~PairLJSFDipoleSF() override;
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void compute(int, int) override;
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void settings(int, char **) override;
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@ -64,8 +64,7 @@ class PairAmoebaGPU : public PairAmoeba {
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void udirect2b_cpu();
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template<class numtyp>
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void compute_force_from_torque(const numtyp*, double**, double*);
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template <class numtyp> void compute_force_from_torque(const numtyp *, double **, double *);
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};
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} // namespace LAMMPS_NS
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@ -65,8 +65,7 @@ class PairHippoGPU : public PairAmoeba {
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void udirect2b_cpu();
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template<class numtyp>
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void compute_force_from_torque(const numtyp*, double**, double*);
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template <class numtyp> void compute_force_from_torque(const numtyp *, double **, double *);
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};
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} // namespace LAMMPS_NS
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@ -75,7 +75,7 @@ class PairGranular : public Pair {
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// granular models
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int nmodels, maxmodels;
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class Granular_NS::GranularModel** models_list;
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class Granular_NS::GranularModel **models_list;
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int **types_indices;
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// optional user-specified global cutoff, per-type user-specified cutoffs
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@ -30,7 +30,6 @@ class PairAIPWATER2DM : virtual public PairILPTMD {
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protected:
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void settings(int, char **) override;
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};
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} // namespace LAMMPS_NS
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@ -39,7 +39,12 @@ class PairILPGrapheneHBN : public Pair {
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static constexpr int NPARAMS_PER_LINE = 13;
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enum { ILP_GrhBN, ILP_TMD, SAIP_METAL, AIP_WATER_2DM }; // for telling class variants apart in shared code
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enum {
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ILP_GrhBN,
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ILP_TMD,
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SAIP_METAL,
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AIP_WATER_2DM
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}; // for telling class variants apart in shared code
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protected:
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int me;
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@ -27,8 +27,8 @@ namespace LAMMPS_NS {
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class PairLeptonCoul : public PairLepton {
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public:
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PairLeptonCoul(class LAMMPS *_lmp) : PairLepton(_lmp){};
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~PairLeptonCoul() override{};
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PairLeptonCoul(class LAMMPS *_lmp) : PairLepton(_lmp) {};
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~PairLeptonCoul() override {};
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void compute(int, int) override;
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void settings(int, char **) override;
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void init_style() override;
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@ -27,7 +27,7 @@ namespace LAMMPS_NS {
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class PairLeptonSphere : public PairLepton {
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public:
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PairLeptonSphere(class LAMMPS *_lmp) : PairLepton(_lmp){};
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PairLeptonSphere(class LAMMPS *_lmp) : PairLepton(_lmp) {};
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void compute(int, int) override;
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void settings(int, char **) override;
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@ -57,18 +57,18 @@ class PairBOP : public Pair {
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struct PairList1 {
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double r, dis[3];
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double betaS, dBetaS, betaP, dBetaP, rep, dRep;
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PairList1(){};
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PairList1() {};
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};
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struct PairList2 {
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double r, dis[3];
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double rep, dRep;
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PairList2(){};
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PairList2() {};
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};
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struct TripleList {
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double G, dG, cosAng, dCosAngi[3], dCosAngj[3], dCosAngk[3];
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TripleList(){};
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TripleList() {};
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};
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struct B_SG {
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@ -197,16 +197,10 @@ class PairMEAMSpline : public Pair {
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}
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/// Returns the number of bytes used by this function object.
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double memory_usage() const
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{
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return sizeof(*this) + sizeof(X[0]) * N * 3;
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}
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double memory_usage() const { return sizeof(*this) + sizeof(X[0]) * N * 3; }
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/// Returns the cutoff radius of this function.
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double cutoff() const
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{
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return X[N - 1];
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}
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double cutoff() const { return X[N - 1]; }
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/// Writes a Gnuplot script that plots the spline function.
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void writeGnuplot(const char *filename, const char *title = nullptr) const;
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@ -187,16 +187,10 @@ class PairMEAMSWSpline : public Pair {
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}
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/// Returns the number of bytes used by this function object.
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double memory_usage() const
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{
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return sizeof(*this) + sizeof(X[0]) * N * 3;
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}
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double memory_usage() const { return sizeof(*this) + sizeof(X[0]) * N * 3; }
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/// Returns the cutoff radius of this function.
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double cutoff() const
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{
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return X[N - 1];
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}
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double cutoff() const { return X[N - 1]; }
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/// Writes a Gnuplot script that plots the spline function.
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void writeGnuplot(const char *filename, const char *title = nullptr) const;
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@ -26,7 +26,7 @@ namespace LAMMPS_NS {
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class PairTersoffMODC : public PairTersoffMOD {
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public:
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PairTersoffMODC(class LAMMPS *lmp) : PairTersoffMOD(lmp){};
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PairTersoffMODC(class LAMMPS *lmp) : PairTersoffMOD(lmp) {};
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static constexpr int NPARAMS_PER_LINE = 21;
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@ -43,8 +43,10 @@ class PairQUIP : public Pair {
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double init_one(int, int) override;
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void allocate();
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void *extract(const char *, int &);
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protected:
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double scale;
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private:
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double cutoff;
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int *quip_potential;
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@ -1,4 +1,4 @@
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/* -*- c++ -*- ----------------------------------------------------------
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/* -*- c++ -*- ----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://www.lammps.org/, Sandia National Laboratories
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LAMMPS development team: developers@lammps.org
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@ -20,8 +20,8 @@ PairStyle(aip/water/2dm/opt,PairAIPWATER2DMOpt);
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#ifndef LMP_PAIR_AIP_WATER_2DM_OPT_H
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#define LMP_PAIR_AIP_WATER_2DM_OPT_H
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#include "pair_ilp_graphene_hbn_opt.h"
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#include "pair_aip_water_2dm.h"
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#include "pair_ilp_graphene_hbn_opt.h"
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namespace LAMMPS_NS {
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@ -35,8 +35,8 @@ class PairILPGrapheneHBNOpt : virtual public PairILPGrapheneHBN {
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protected:
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void update_internal_list();
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template <int MAX_NNEIGH>
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void calc_atom_normal(int i, int itype, int *ILP_neigh, int nneigh, double *normal, double (*dnormdri)[3],
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double (*dnormdrk)[3][3]);
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void calc_atom_normal(int i, int itype, int *ILP_neigh, int nneigh, double *normal,
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double (*dnormdri)[3], double (*dnormdrk)[3][3]);
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template <int MAX_NNEIGH, int EFLAG, int VFLAG_EITHER, int TAP_FLAG, int VARIANT = ILP_GrhBN>
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void eval();
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int *layered_neigh;
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@ -51,7 +51,6 @@ class PairILPGrapheneHBNOpt : virtual public PairILPGrapheneHBN {
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SAIP_BNCH,
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WATER,
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};
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};
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} // namespace LAMMPS_NS
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