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Merge branch 'master' of github.com:alxvov/lammps into OSO

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This commit is contained in:
julient31
2019-09-23 14:22:26 -06:00
parent 34f8104146 aa2b885783
commit a31aa5debc
244 changed files with 20482 additions and 86833 deletions
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17
src/min.h
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@ -31,14 +31,15 @@ class Min : protected Pointers {
Min(class LAMMPS *);
virtual ~Min();
virtual void init();
void setup(int flag=1);
void setup_minimal(int);
void run(int);
virtual void setup(int flag=1);
virtual void setup_minimal(int);
virtual void run(int);
void cleanup();
int request(class Pair *, int, double);
virtual bigint memory_usage() {return 0;}
void modify_params(int, char **);
virtual int modify_param(int, char **) {return 0;}
<<<<<<< HEAD
double fnorm_sqr();
double fnorm_inf();
double fnorm_max();
@ -48,6 +49,10 @@ class Min : protected Pointers {
// methods for spin minimizers
double max_torque();
double total_torque();
=======
virtual double fnorm_sqr();
virtual double fnorm_inf();
>>>>>>> aa2b885783e471ed622e1402adeed67e3224aa53
virtual void init_style() {}
virtual void setup_style() = 0;
@ -108,10 +113,12 @@ class Min : protected Pointers {
double *extra_max; // max allowed change per iter for atom's var
class Pair **requestor; // Pair that stores/manipulates the variable
int kokkosable; // 1 if this min style supports Kokkos
int neigh_every,neigh_delay,neigh_dist_check; // neighboring params
double energy_force(int);
void force_clear();
virtual double energy_force(int);
virtual void force_clear();
void ev_setup();
void ev_set(bigint);