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input_cp2k_opt.F File Reference

Go to the source code of this file.

Modules

module  input_cp2k_opt
 function that build the dft section of the input
 

Functions/Subroutines

subroutine, public input_cp2k_opt::create_optimize_lri_basis_section (section)
 input section for optimization of the auxililary basis for LRIGPW
 
subroutine, public input_cp2k_opt::create_optimize_embed (section)
 Input for DFT embedding.
 
subroutine, public input_cp2k_opt::create_optimize_dmfet (section)
 Input for density matrix functional embedding, DMFET.