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(git:ed6f26b)
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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) |
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subroutine, public | gopt_f_types::gopt_f_retain (gopt_env) |
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recursive subroutine, public | gopt_f_types::gopt_f_release (gopt_env) |
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