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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 classical_field:Data Fields | |
| gboolean | prepare_file [2] |
| gboolean | afp [MAXDATC+MAXDATA] |
| int | type |
| int | energy_unit |
| int | atom_init |
| int | molecules |
| struct field_molecule * | first_molecule |
| int | nbody [5] |
| struct field_nth_body * | first_body [5] |
| double *** | cross |
| int | extern_fields |
| struct field_external * | first_external |
| double * | sys_opts |
| double * | io_opts |
| double * | ana_opts |
| double * | elec_opts |
| double * | vdw_opts |
| double * | met_opts |
| double * | equi_opts |
| int | ensemble |
| int | thermostat |
| double * | thermo_opts |
| double * | md_opts |
| double * | out_opts |
| struct field_nth_body* first_body[5] |
| struct field_external* first_external |
| struct field_molecule* first_molecule |
| int thermostat |