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subroutine, public | gopt_f_methods::gopt_f_create_x0 (gopt_env, x0) |
| returns the value of the parameters for the actual configuration More...
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subroutine, public | gopt_f_methods::gopt_f_ii (its, output_unit) |
| Prints iteration step of the optimization procedure on screen. More...
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subroutine, public | gopt_f_methods::gopt_f_io_init (gopt_env, output_unit, opt_energy, wildcard, its, used_time) |
| Handles the Output during an optimization run. More...
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subroutine, public | gopt_f_methods::gopt_f_io (gopt_env, force_env, root_section, its, opt_energy, output_unit, eold, emin, wildcard, gopt_param, ndf, dx, xi, conv, pred, rat, step, rad, used_time) |
| Handles the Output during an optimization run. More...
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recursive subroutine, public | gopt_f_methods::gopt_f_io_finalize (gopt_env, force_env, x0, conv, its, root_section, para_env, master, output_unit) |
| Handles the Output at the end of an optimization run. More...
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subroutine, public | gopt_f_methods::print_geo_opt_header (gopt_env, output_unit, label) |
| ... More...
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subroutine, public | gopt_f_methods::print_geo_opt_nc (gopt_env, output_unit) |
| ... More...
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subroutine, public | gopt_f_methods::apply_cell_change (gopt_env, cell, x, update_forces) |
| Apply coordinate transformations after cell (shape) change. More...
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