ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

changes for next patch, 2d disc options for spheres, fix external upgrade, bug fixes for fix ave/chunk for density calcs, Aidan doc page citation deconvolution

Browse Source
This commit is contained in:
Steve Plimpton
2017-03-21 08:56:37 -06:00
parent 145e682ad3
commit dcede304df
112 changed files with 912 additions and 534 deletions
Download Patch File Download Diff File Expand all files Collapse all files

9
src/fix_external.h
View File

@ -33,12 +33,17 @@ class FixExternal : public Fix {
int setmask();
void init();
void setup(int);
void setup_pre_reverse(int, int);
void min_setup(int);
void pre_reverse(int, int);
void post_force(int);
void min_post_force(int);
double compute_scalar();
void set_energy(double eng);
void set_energy_global(double);
void set_virial_global(double *);
void set_energy_peratom(double *);
void set_virial_peratom(double **);
double memory_usage();
void grow_arrays(int);
@ -50,7 +55,7 @@ class FixExternal : public Fix {
void set_callback(FnPtr, void *);
private:
int mode,ncall,napply;
int mode,ncall,napply,eflag_caller;
FnPtr callback;
void *ptr_caller;
double user_energy;