atomes 1.1.14
atomes: an atomic scale modeling tool box
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#include <global.h>
Data Fields | |
int | calc_type |
int | restart [10] |
int | thermostats |
thermostat * | ions_thermostat |
thermostat * | elec_thermostat |
int | fixat |
int * | fixlist |
int ** | fixcoord |
int | dummies |
dummy_atom * | dummy |
double | default_opts [17] |
double | calc_opts [24] |
int ** | pp |
gchar * | info |
dummy_atom* dummy |
thermostat* elec_thermostat |
thermostat* ions_thermostat |