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update LAMMPS GUI code with PR 3890 content

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This commit is contained in:
Axel Kohlmeyer
2023-08-17 22:50:10 -04:00
parent 84168fc84d
commit ee16f6503e
24 changed files with 534 additions and 106 deletions
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6
tools/lammps-gui/lammpswrapper.h
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@ -29,15 +29,21 @@ public:
void force_timeout();
int extract_setting(const char *keyword);
void *extract_global(const char *keyword);
void *extract_atom(const char *keyword);
int id_count(const char *idtype);
int id_name(const char *idtype, int idx, char *buf, int buflen);
double get_thermo(const char *keyword);
void *last_thermo(const char *keyword, int idx);
bool is_open() const { return lammps_handle != nullptr; }
bool is_running();
bool has_error() const;
int get_last_error_message(char *errorbuf, int buflen);
bool config_accelerator(const char *package, const char *category, const char *setting) const;
bool config_has_package(const char *pkg) const;
bool has_gpu_device() const;