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(git:936074a)
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#include "../base/base_uses.f90"Go to the source code of this file.
Data Types | |
| type | gopt_f_types::gopt_f_type |
| calculates the potential energy of a system, and its derivatives More... | |
Modules | |
| module | gopt_f_types |
| contains a functional that calculates the energy and its derivatives for the geometry optimizer | |
Functions/Subroutines | |
| recursive subroutine, public | gopt_f_types::gopt_f_create (gopt_env, gopt_param, force_env, globenv, geo_opt_section, eval_opt_geo) |
| ... | |
| subroutine, public | gopt_f_types::gopt_f_retain (gopt_env) |
| ... | |
| recursive subroutine, public | gopt_f_types::gopt_f_release (gopt_env) |
| ... | |