diff --git a/src/DIELECTRIC/atom_vec_dielectric.h b/src/DIELECTRIC/atom_vec_dielectric.h index b6b7ebd676..71aba900f8 100644 --- a/src/DIELECTRIC/atom_vec_dielectric.h +++ b/src/DIELECTRIC/atom_vec_dielectric.h @@ -35,9 +35,9 @@ class AtomVecDielectric : virtual public AtomVec { void grow_pointers() override; void create_atom_post(int) override; void data_atom_post(int) override; - void read_data_general_to_restricted(int, int); - void write_data_restricted_to_general(); - void write_data_restore_restricted(); + void read_data_general_to_restricted(int, int) override; + void write_data_restricted_to_general() override; + void write_data_restore_restricted() override; void unpack_restart_init(int) override; int property_atom(const std::string &) override; diff --git a/src/DIPOLE/atom_vec_dipole.h b/src/DIPOLE/atom_vec_dipole.h index 1f6d6fe2be..0b46195263 100644 --- a/src/DIPOLE/atom_vec_dipole.h +++ b/src/DIPOLE/atom_vec_dipole.h @@ -30,9 +30,9 @@ class AtomVecDipole : virtual public AtomVec { void grow_pointers() override; void data_atom_post(int) override; - void read_data_general_to_restricted(int, int); - void write_data_restricted_to_general(); - void write_data_restore_restricted(); + void read_data_general_to_restricted(int, int) override; + void write_data_restricted_to_general() override; + void write_data_restore_restricted() override; protected: double **mu; diff --git a/src/MACHDYN/atom_vec_smd.h b/src/MACHDYN/atom_vec_smd.h index 322136ebd3..47117c0b90 100644 --- a/src/MACHDYN/atom_vec_smd.h +++ b/src/MACHDYN/atom_vec_smd.h @@ -43,8 +43,8 @@ class AtomVecSMD : virtual public AtomVec { void force_clear(int, size_t) override; void create_atom_post(int) override; void data_atom_post(int) override; - void write_data_restricted_to_general(); - void write_data_restore_restricted(); + void write_data_restricted_to_general() override; + void write_data_restore_restricted() override; private: tagint *molecule; diff --git a/src/SPIN/atom_vec_spin.h b/src/SPIN/atom_vec_spin.h index 93bbc82ab8..7a2f890086 100644 --- a/src/SPIN/atom_vec_spin.h +++ b/src/SPIN/atom_vec_spin.h @@ -31,9 +31,9 @@ class AtomVecSpin : virtual public AtomVec { void grow_pointers() override; void force_clear(int, size_t) override; void data_atom_post(int) override; - void read_data_general_to_restricted(int, int); - void write_data_restricted_to_general(); - void write_data_restore_restricted(); + void read_data_general_to_restricted(int, int) override; + void write_data_restricted_to_general() override; + void write_data_restore_restricted() override; protected: double **sp, **fm, **fm_long; diff --git a/src/atom.cpp b/src/atom.cpp index d0614f923f..46b49fc6b6 100644 --- a/src/atom.cpp +++ b/src/atom.cpp @@ -50,6 +50,7 @@ using namespace MathConst; static constexpr int DELTA = 1; static constexpr double EPSILON = 1.0e-6; +static constexpr double EPS_ZCOORD = 1.0e-12; /* ---------------------------------------------------------------------- one instance per AtomVec style in style_atom.h diff --git a/src/atom_vec_body.h b/src/atom_vec_body.h index 0aa83e833f..5c7ed73d21 100644 --- a/src/atom_vec_body.h +++ b/src/atom_vec_body.h @@ -66,9 +66,9 @@ class AtomVecBody : public AtomVec { int pack_data_bonus(double *, int) override; void write_data_bonus(FILE *, int, double *, int) override; - void read_data_general_to_restricted(int, int); - void write_data_restricted_to_general(); - void write_data_restore_restricted(); + void read_data_general_to_restricted(int, int) override; + void write_data_restricted_to_general() override; + void write_data_restore_restricted() override; // methods used by other classes to query/set body info diff --git a/src/atom_vec_ellipsoid.h b/src/atom_vec_ellipsoid.h index 03850837d8..5b0d878c84 100644 --- a/src/atom_vec_ellipsoid.h +++ b/src/atom_vec_ellipsoid.h @@ -59,9 +59,9 @@ class AtomVecEllipsoid : public AtomVec { int pack_data_bonus(double *, int) override; void write_data_bonus(FILE *, int, double *, int) override; - void read_data_general_to_restricted(int, int); - void write_data_restricted_to_general(); - void write_data_restore_restricted(); + void read_data_general_to_restricted(int, int) override; + void write_data_restricted_to_general() override; + void write_data_restore_restricted() override; // unique to AtomVecEllipsoid