add API to library interface to access last thermo data

2023-06-07 16:21:01 -04:00
parent de561737a3
commit 491e152289
7 changed files with 116 additions and 17 deletions
--- a/src/library.h
+++ b/src/library.h
@ -148,6 +148,7 @@ void lammps_commands_string(void *handle, const char *str);

 double lammps_get_natoms(void *handle);
 double lammps_get_thermo(void *handle, const char *keyword);
+void *lammps_last_thermo(void *handle, const char *what, int idx);

 void lammps_extract_box(void *handle, double *boxlo, double *boxhi, double *xy, double *yz,
                        double *xz, int *pflags, int *boxflag);