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add support for set_vector for fix external in c-library, python and unittest

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Axel Kohlmeyer
2021-07-16 23:41:25 -04:00
parent d462bb3131
commit fa654f2270
7 changed files with 188 additions and 16 deletions
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src/library.h
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@ -240,7 +240,7 @@ void lammps_fix_external_set_energy_peratom(void *handle, const char *id, double
void lammps_fix_external_set_virial_global(void *handle, const char *id, double *virial);
void lammps_fix_external_set_virial_peratom(void *handle, const char *id, double **virial);
void lammps_fix_external_set_vector_length(void *handle, const char *id, int len);
void lammps_fix_external_set_virial_peratom(void *handle, const char *id, double **val);
void lammps_fix_external_set_vector(void *handle, const char *id, int idx, double val);
void lammps_free(void *ptr);