Apply override to Improper classes

This commit is contained in:
Richard Berger
2022-01-20 17:36:43 -05:00
parent 5e37f9d5a7
commit 7387643b87
25 changed files with 106 additions and 107 deletions

View File

@ -27,12 +27,12 @@ namespace LAMMPS_NS {
class ImproperClass2 : public Improper {
public:
ImproperClass2(class LAMMPS *);
virtual ~ImproperClass2();
virtual void compute(int, int);
virtual void coeff(int, char **);
void write_restart(FILE *);
virtual void read_restart(FILE *);
void write_data(FILE *);
~ImproperClass2() override;
void compute(int, int) override;
void coeff(int, char **) override;
void write_restart(FILE *) override;
void read_restart(FILE *) override;
void write_data(FILE *) override;
protected:
double *k0, *chi0;

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@ -27,12 +27,12 @@ namespace LAMMPS_NS {
class ImproperCossq : public Improper {
public:
ImproperCossq(class LAMMPS *);
virtual ~ImproperCossq();
virtual void compute(int, int);
void coeff(int, char **);
void write_restart(FILE *);
void read_restart(FILE *);
void write_data(FILE *);
~ImproperCossq() override;
void compute(int, int) override;
void coeff(int, char **) override;
void write_restart(FILE *) override;
void read_restart(FILE *) override;
void write_data(FILE *) override;
protected:
double *k, *chi;

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@ -27,12 +27,12 @@ namespace LAMMPS_NS {
class ImproperDistance : public Improper {
public:
ImproperDistance(class LAMMPS *);
~ImproperDistance();
void compute(int, int);
void coeff(int, char **);
void write_restart(FILE *);
void read_restart(FILE *);
void write_data(FILE *);
~ImproperDistance() override;
void compute(int, int) override;
void coeff(int, char **) override;
void write_restart(FILE *) override;
void read_restart(FILE *) override;
void write_data(FILE *) override;
private:
double *k, *chi;

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@ -27,12 +27,12 @@ namespace LAMMPS_NS {
class ImproperFourier : public Improper {
public:
ImproperFourier(class LAMMPS *);
~ImproperFourier();
void compute(int, int);
void coeff(int, char **);
void write_restart(FILE *);
void read_restart(FILE *);
void write_data(FILE *);
~ImproperFourier() override;
void compute(int, int) override;
void coeff(int, char **) override;
void write_restart(FILE *) override;
void read_restart(FILE *) override;
void write_data(FILE *) override;
protected:
double *k, *C0, *C1, *C2;

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@ -27,12 +27,12 @@ namespace LAMMPS_NS {
class ImproperRing : public Improper {
public:
ImproperRing(class LAMMPS *);
virtual ~ImproperRing();
virtual void compute(int, int);
void coeff(int, char **);
void write_restart(FILE *);
void read_restart(FILE *);
void write_data(FILE *);
~ImproperRing() override;
void compute(int, int) override;
void coeff(int, char **) override;
void write_restart(FILE *) override;
void read_restart(FILE *) override;
void write_data(FILE *) override;
protected:
double *k, *chi;

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@ -33,9 +33,9 @@ namespace LAMMPS_NS {
class ImproperCvffIntel : public ImproperCvff {
public:
ImproperCvffIntel(class LAMMPS *);
virtual ~ImproperCvffIntel();
virtual void compute(int, int);
virtual void init_style();
~ImproperCvffIntel() override;
void compute(int, int) override;
void init_style() override;
protected:
FixIntel *fix;

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@ -33,9 +33,9 @@ namespace LAMMPS_NS {
class ImproperHarmonicIntel : public ImproperHarmonic {
public:
ImproperHarmonicIntel(class LAMMPS *);
virtual ~ImproperHarmonicIntel();
virtual void compute(int, int);
virtual void init_style();
~ImproperHarmonicIntel() override;
void compute(int, int) override;
void init_style() override;
protected:
FixIntel *fix;

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@ -42,10 +42,10 @@ class ImproperClass2Kokkos : public ImproperClass2 {
typedef ArrayTypes<DeviceType> AT;
ImproperClass2Kokkos(class LAMMPS *);
virtual ~ImproperClass2Kokkos();
void compute(int, int);
void coeff(int, char **);
void read_restart(FILE *);
~ImproperClass2Kokkos() override;
void compute(int, int) override;
void coeff(int, char **) override;
void read_restart(FILE *) override;
template<int NEWTON_BOND, int EVFLAG>
KOKKOS_INLINE_FUNCTION

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@ -39,10 +39,10 @@ class ImproperHarmonicKokkos : public ImproperHarmonic {
typedef ArrayTypes<DeviceType> AT;
ImproperHarmonicKokkos(class LAMMPS *);
virtual ~ImproperHarmonicKokkos();
void compute(int, int);
void coeff(int, char **);
void read_restart(FILE *);
~ImproperHarmonicKokkos() override;
void compute(int, int) override;
void coeff(int, char **) override;
void read_restart(FILE *) override;
template<int NEWTON_BOND, int EVFLAG>
KOKKOS_INLINE_FUNCTION
@ -87,7 +87,7 @@ class ImproperHarmonicKokkos : public ImproperHarmonic {
typename Kokkos::DualView<F_FLOAT*,DeviceType>::t_dev d_k;
typename Kokkos::DualView<F_FLOAT*,DeviceType>::t_dev d_chi;
void allocate();
void allocate() override;
};
}

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@ -27,12 +27,12 @@ namespace LAMMPS_NS {
class ImproperInversionHarmonic : public Improper {
public:
ImproperInversionHarmonic(class LAMMPS *);
virtual ~ImproperInversionHarmonic();
virtual void compute(int, int);
void coeff(int, char **);
void write_restart(FILE *);
void read_restart(FILE *);
void write_data(FILE *);
~ImproperInversionHarmonic() override;
void compute(int, int) override;
void coeff(int, char **) override;
void write_restart(FILE *) override;
void read_restart(FILE *) override;
void write_data(FILE *) override;
protected:
double *kw, *w0;

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@ -27,12 +27,12 @@ namespace LAMMPS_NS {
class ImproperCvff : public Improper {
public:
ImproperCvff(class LAMMPS *);
virtual ~ImproperCvff();
virtual void compute(int, int);
void coeff(int, char **);
void write_restart(FILE *);
void read_restart(FILE *);
void write_data(FILE *);
~ImproperCvff() override;
void compute(int, int) override;
void coeff(int, char **) override;
void write_restart(FILE *) override;
void read_restart(FILE *) override;
void write_data(FILE *) override;
protected:
double *k;

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@ -27,12 +27,12 @@ namespace LAMMPS_NS {
class ImproperHarmonic : public Improper {
public:
ImproperHarmonic(class LAMMPS *);
virtual ~ImproperHarmonic();
virtual void compute(int, int);
virtual void coeff(int, char **);
void write_restart(FILE *);
virtual void read_restart(FILE *);
void write_data(FILE *);
~ImproperHarmonic() override;
void compute(int, int) override;
void coeff(int, char **) override;
void write_restart(FILE *) override;
void read_restart(FILE *) override;
void write_data(FILE *) override;
protected:
double *k, *chi;

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@ -27,12 +27,12 @@ namespace LAMMPS_NS {
class ImproperUmbrella : public Improper {
public:
ImproperUmbrella(class LAMMPS *);
virtual ~ImproperUmbrella();
virtual void compute(int, int);
void coeff(int, char **);
void write_restart(FILE *);
void read_restart(FILE *);
void write_data(FILE *);
~ImproperUmbrella() override;
void compute(int, int) override;
void coeff(int, char **) override;
void write_restart(FILE *) override;
void read_restart(FILE *) override;
void write_data(FILE *) override;
protected:
double *kw, *w0, *C;

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@ -33,7 +33,7 @@ class ImproperClass2OMP : public ImproperClass2, public ThrOMP {
public:
ImproperClass2OMP(class LAMMPS *lmp);
virtual void compute(int, int);
void compute(int, int) override;
private:
template <int EVFLAG, int EFLAG, int NEWTON_BOND>

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@ -33,7 +33,7 @@ class ImproperCossqOMP : public ImproperCossq, public ThrOMP {
public:
ImproperCossqOMP(class LAMMPS *lmp);
virtual void compute(int, int);
void compute(int, int) override;
private:
template <int EVFLAG, int EFLAG, int NEWTON_BOND>

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@ -33,7 +33,7 @@ class ImproperCvffOMP : public ImproperCvff, public ThrOMP {
public:
ImproperCvffOMP(class LAMMPS *lmp);
virtual void compute(int, int);
void compute(int, int) override;
private:
template <int EVFLAG, int EFLAG, int NEWTON_BOND>

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@ -33,7 +33,7 @@ class ImproperFourierOMP : public ImproperFourier, public ThrOMP {
public:
ImproperFourierOMP(class LAMMPS *lmp);
virtual void compute(int, int);
void compute(int, int) override;
private:
template <int EVFLAG, int EFLAG, int NEWTON_BOND>

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@ -33,7 +33,7 @@ class ImproperHarmonicOMP : public ImproperHarmonic, public ThrOMP {
public:
ImproperHarmonicOMP(class LAMMPS *lmp);
virtual void compute(int, int);
void compute(int, int) override;
private:
template <int EVFLAG, int EFLAG, int NEWTON_BOND>

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@ -33,7 +33,7 @@ class ImproperRingOMP : public ImproperRing, public ThrOMP {
public:
ImproperRingOMP(class LAMMPS *lmp);
virtual void compute(int, int);
void compute(int, int) override;
private:
template <int EVFLAG, int EFLAG, int NEWTON_BOND>

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@ -33,7 +33,7 @@ class ImproperUmbrellaOMP : public ImproperUmbrella, public ThrOMP {
public:
ImproperUmbrellaOMP(class LAMMPS *lmp);
virtual void compute(int, int);
void compute(int, int) override;
private:
template <int EVFLAG, int EFLAG, int NEWTON_BOND>

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@ -27,11 +27,11 @@ namespace LAMMPS_NS {
class ImproperDistHarm : public Improper {
public:
ImproperDistHarm(class LAMMPS *);
~ImproperDistHarm();
void compute(int, int);
void coeff(int, char **);
void write_restart(FILE *);
void read_restart(FILE *);
~ImproperDistHarm() override;
void compute(int, int) override;
void coeff(int, char **) override;
void write_restart(FILE *) override;
void read_restart(FILE *) override;
private:
double *k, *chi;

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@ -27,11 +27,11 @@ namespace LAMMPS_NS {
class ImproperSQDistHarm : public Improper {
public:
ImproperSQDistHarm(class LAMMPS *);
~ImproperSQDistHarm();
void compute(int, int);
void coeff(int, char **);
void write_restart(FILE *);
void read_restart(FILE *);
~ImproperSQDistHarm() override;
void compute(int, int) override;
void coeff(int, char **) override;
void write_restart(FILE *) override;
void read_restart(FILE *) override;
private:
double *k, *chi;

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@ -27,13 +27,12 @@ namespace LAMMPS_NS {
class ImproperDeprecated : public Improper {
public:
ImproperDeprecated(class LAMMPS *lmp) : Improper(lmp) {}
virtual ~ImproperDeprecated() {}
virtual void compute(int, int) {}
virtual void settings(int, char **);
virtual void coeff(int, char **) {}
virtual void write_restart(FILE *) {}
virtual void read_restart(FILE *) {}
void compute(int, int) override {}
void settings(int, char **) override;
void coeff(int, char **) override {}
void write_restart(FILE *) override {}
void read_restart(FILE *) override {}
};
} // namespace LAMMPS_NS

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@ -31,14 +31,14 @@ class ImproperHybrid : public Improper {
char **keywords; // keyword for each improper style
ImproperHybrid(class LAMMPS *);
~ImproperHybrid();
void init_style();
void compute(int, int);
void settings(int, char **);
void coeff(int, char **);
void write_restart(FILE *);
void read_restart(FILE *);
double memory_usage();
~ImproperHybrid() override;
void init_style() override;
void compute(int, int) override;
void settings(int, char **) override;
void coeff(int, char **) override;
void write_restart(FILE *) override;
void read_restart(FILE *) override;
double memory_usage() override;
private:
int *map; // which style each improper type points to

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@ -27,14 +27,14 @@ namespace LAMMPS_NS {
class ImproperZero : public Improper {
public:
ImproperZero(class LAMMPS *);
virtual ~ImproperZero();
virtual void compute(int, int);
virtual void coeff(int, char **);
virtual void settings(int, char **);
~ImproperZero() override;
void compute(int, int) override;
void coeff(int, char **) override;
void settings(int, char **) override;
void write_restart(FILE *);
void read_restart(FILE *);
void write_data(FILE *);
void write_restart(FILE *) override;
void read_restart(FILE *) override;
void write_data(FILE *) override;
protected:
int coeffflag;