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subroutine, public | fist_environment_types::fist_env_get (fist_env, atomic_kind_set, particle_set, ewald_pw, local_particles, local_molecules, molecule_kind_set, molecule_set, cell, cell_ref, ewald_env, fist_nonbond_env, thermo, para_env, subsys, qmmm, qmmm_env, input, shell_model, shell_model_ad, shell_particle_set, core_particle_set, multipoles, results, exclusions, efield) |
| Purpose: Get the FIST environment. More...
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subroutine, public | fist_environment_types::fist_env_set (fist_env, atomic_kind_set, particle_set, ewald_pw, local_particles, local_molecules, molecule_kind_set, molecule_set, cell_ref, ewald_env, fist_nonbond_env, thermo, subsys, qmmm, qmmm_env, input, shell_model, shell_model_ad, exclusions, efield) |
| Set the FIST environment. More...
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subroutine, public | fist_environment_types::fist_env_create (fist_env, para_env) |
| allocates and intitializes a fist_env More...
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subroutine, public | fist_environment_types::fist_env_release (fist_env) |
| releases the given fist_env (see doc/ReferenceCounting.html) More...
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