| Module | Source File | Description |
|---|---|---|
| mimic_cells | mimic_cells.f90 | cell types |
| mimic_config | mimic_config.F90 | |
| mimic_constants | mimic_constants.f90 | contains constants declarations MiMiC |
| mimic_data_collect | mimic_data_collect.f90 | provides routines for interaction with client codes: collection and distribution of data |
| mimic_errors | mimic_errors.F90 | |
| mimic_field_grids | mimic_field_grids.f90 | field grid types |
| mimic_fragments | mimic_fragments.F90 | fragment types |
| mimic_long_range | mimic_long_range.F90 | computes energy, forces, and potential from the interactions between the quantum fragment and long-range atoms using a multipole expansion approximation for the quantum fragment |
| mimic_main | mimic_main.F90 | MiMiC main contains all API calls |
| mimic_particles | mimic_particles.f90 | contains particle types |
| mimic_precision | mimic_precision.f90 | defines single-, double-, and quadruple-precision parameters |
| mimic_properties | mimic_properties.f90 | property types |
| mimic_short_range | mimic_short_range.F90 | compute interactions between quantum fragment and short-range classical fragments |
| mimic_subsystems | mimic_subsystems.f90 | fragment types |
| mimic_tensors | mimic_tensors.f90 | This module provides procedures for computing interactions tensors in packed form (one-dimensional arrays) and includes several operations involving tensors. |
| mimic_types | mimic_types.f90 | contains type definitions for MiMiC |
| mimic_utils | mimic_utils.F90 |