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

add lammps_last_thermo support to swig, plugin and fortran interface

Browse Source
This commit is contained in:
Axel Kohlmeyer
2023-06-08 19:12:59 -04:00
parent 5d4f9abf5b
commit ce38bb988d
4 changed files with 83 additions and 1 deletions
Download Patch File Download Diff File Expand all files Collapse all files

1
examples/COUPLE/plugin/liblammpsplugin.c
View File

@ -90,6 +90,7 @@ liblammpsplugin_t *liblammpsplugin_load(const char *lib)
ADDSYM(get_natoms);
ADDSYM(get_thermo);
ADDSYM(last_thermo);
ADDSYM(extract_box);
ADDSYM(reset_box);

1
examples/COUPLE/plugin/liblammpsplugin.h
View File

@ -133,6 +133,7 @@ struct _liblammpsplugin {
double (*get_natoms)(void *);
double (*get_thermo)(void *, const char *);
void *(*last_thermo)(void *, const char *, int);
void (*extract_box)(void *, double *, double *,
double *, double *, double *, int *, int *);