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atomes 1.2.1
atomes: an atomic scale modeling tool box
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#include <global.h>
Collaboration diagram for cp2k:Data Fields | |
| int | input_type |
| double | opts [42] |
| double | extra_opts [3][4] |
| int | thermostats |
| thermostat * | ions_thermostat |
| int | fixat [2] |
| int * | fixlist [2] |
| int ** | fixcoord [2] |
| gchar * | files [5] |
| gchar *** | spec_files |
| int ** | spec_data |
| gchar * | info |
| thermostat* ions_thermostat |