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This commit is contained in:
draneyj
2024-09-02 12:24:39 -04:00
parent 0aa4118e89
commit 36d6f1f95c
1 changed files with 3 additions and 1 deletions
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4
src/MC/fix_hmc.h
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@ -53,10 +53,12 @@ class FixHMC : public Fix {
void restore_saved_state();
void random_velocities();
void rigid_body_random_velocities();
void grow_store(int, int);
template <typename T> void store_peratom_member(Atom::PerAtom &, Atom::PerAtom, int, int, int);
template <typename T> void restore_peratom_member(Atom::PerAtom, Atom::PerAtom &, int);
template <typename T> double memory_usage_peratom_member(Atom::PerAtom &);
std::vector<Atom::PerAtom> stored_peratom;
std::vector<Atom::PerAtom> current_peratom;
tagint *stored_tag;
@ -73,7 +75,7 @@ class FixHMC : public Fix {
double **stored_orient;
double **stored_dorient;
int nstore, maxstore;
int nstore, maxstore, bufextra;
double *buf_store;
int resample_on_accept_flag, mom_flag;