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

Merge branch 'atomvec-custom' of github.com:lammps/lammps into atomvec-custom

Browse Source
This commit is contained in:
Steve Plimpton
2020-05-01 09:48:11 -06:00
parent 807b0fce7e 6659946de1
commit a72f034b72
25 changed files with 89 additions and 89 deletions
Download Patch File Download Diff File Expand all files Collapse all files

2
src/USER-OMP/fix_omp.cpp
View File

@ -351,7 +351,7 @@ void FixOMP::pre_force(int)
double *drho = atom->drho; double *drho = atom->drho;
#if defined(_OPENMP) #if defined(_OPENMP)
#pragma omp parallel LMP_DEFAULT_NONE LMP_SHARED(f,torque,erforce,de,drho) #pragma omp parallel LMP_DEFAULT_NONE LMP_SHARED(f,torque,erforce,desph,drho)
#endif #endif
{ {
const int tid = get_tid(); const int tid = get_tid();

2
src/USER-SMD/atom_vec_smd.h
View File

@ -45,7 +45,7 @@ class AtomVecSMD : public AtomVec {
void data_atom_post(int); void data_atom_post(int);
private: private:
int *molecule; tagint *molecule;
double *esph,*desph,*vfrac,*rmass,*radius,*contact_radius; double *esph,*desph,*vfrac,*rmass,*radius,*contact_radius;
double *eff_plastic_strain,*eff_plastic_strain_rate,*damage; double *eff_plastic_strain,*eff_plastic_strain_rate,*damage;
double **x0,**smd_data_9,**smd_stress,**vest; double **x0,**smd_data_9,**smd_stress,**vest;

12
src/atom_vec.cpp
View File

@ -2495,18 +2495,18 @@ int AtomVec::process_fields(char *str, const char *default_str, Method *method)
for (match = 0; match < i; match++) for (match = 0; match < i; match++)
if (index[i] == index[match]) { if (index[i] == index[match]) {
char str[128]; char str[128];
sprintf(str,"Peratom field %s is repeated",words[i]); sprintf(str,"Peratom field %s is repeated",words[i]);
error->all(FLERR,str); error->all(FLERR,str);
} }
// error if field is in default str // error if field is in default str
for (match = 0; match < ndef; match++) for (match = 0; match < ndef; match++)
if (strcmp(words[i],defwords[match]) == 0) { if (strcmp(words[i],defwords[match]) == 0) {
char str[128]; char str[128];
sprintf(str,"Peratom field %s is a default",words[i]); sprintf(str,"Peratom field %s is a default",words[i]);
error->all(FLERR,str); error->all(FLERR,str);
} }
} }

4
src/atom_vec.h
View File

@ -115,7 +115,7 @@ class AtomVec : protected Pointers {
virtual void pack_restart_post(int) {} virtual void pack_restart_post(int) {}
virtual void unpack_restart_init(int) {} virtual void unpack_restart_init(int) {}
virtual int size_restart_bonus() {} virtual int size_restart_bonus() {return 0;}
virtual int pack_restart_bonus(int, double *) {return 0;} virtual int pack_restart_bonus(int, double *) {return 0;}
virtual int unpack_restart_bonus(int, double *) {return 0;} virtual int unpack_restart_bonus(int, double *) {return 0;}
@ -149,7 +149,7 @@ class AtomVec : protected Pointers {
virtual void pack_property_atom(int, double *, int, int) {} virtual void pack_property_atom(int, double *, int, int) {}
virtual bigint memory_usage(); virtual bigint memory_usage();
virtual bigint memory_usage_bonus() {} virtual bigint memory_usage_bonus() {return 0;}
protected: protected:
int nmax; // local copy of atom->nmax int nmax; // local copy of atom->nmax