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Update README.rst
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@ -7,7 +7,7 @@ used by the various |DFT| or |RSDFT| programs.
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.. warning::
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.. warning::
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This module is not tracked by GIT and therefore, the modifications performed on this module
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This module is not tracked by Git and therefore, the modifications performed on this module
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can be easily lost. Keep in mind this important fact in order not to loose your own work.
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can be easily lost. Keep in mind this important fact in order not to loose your own work.
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@ -24,7 +24,7 @@ The main idea is the following:
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* Example:
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* Example:
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* In an **external plugin** named **fancy_functionals**, you create *e_c_new_fancy_func* for the energy and *pot_ao_alpha_new_func* for the alpha potential
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* In an **external plugin** named **fancy_functionals**, you create *e_c_new_fancy_func* for the energy and *pot_ao_alpha_new_func* for the alpha potential.
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* If you want to be able to use the |DFT| programs already available in the |QP|, these *providers* must use the providers for the density defined in :ref:`module_density_for_dft` and :ref:`module_dft_utils_in_r`.
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* If you want to be able to use the |DFT| programs already available in the |QP|, these *providers* must use the providers for the density defined in :ref:`module_density_for_dft` and :ref:`module_dft_utils_in_r`.
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@ -33,7 +33,7 @@ The main idea is the following:
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* Example:
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* Example:
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* add **fancy_functionals** to the NEED file of **new_functionals**
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* add **fancy_functionals** to the :file:`NEED` file of **new_functionals**
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3. Change the file :file:`e_xc_new_func.irp.f` and :file:`pot_xc_new_func.irp.f` to set the value of your new providers to the providers defined in **new_functionals**
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3. Change the file :file:`e_xc_new_func.irp.f` and :file:`pot_xc_new_func.irp.f` to set the value of your new providers to the providers defined in **new_functionals**
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@ -47,10 +47,12 @@ The main idea is the following:
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BEGIN_PROVIDER[double precision, energy_x_new_functional, (N_states) ]
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BEGIN_PROVIDER[double precision, energy_x_new_functional, (N_states) ]
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&BEGIN_PROVIDER[double precision, energy_c_new_functional, (N_states) ]
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&BEGIN_PROVIDER[double precision, energy_c_new_functional, (N_states) ]
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implicit none
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implicit none
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BEGIN_DOC
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BEGIN_DOC
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! energy_x_new_functional = define here your functional
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! energy_x_new_functional = define here your functional
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! energy_c_new_functional = define here your functional
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! energy_c_new_functional = define here your functional
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END_DOC
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END_DOC
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energy_c_new_functional = e_c_new_fancy_func
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energy_c_new_functional = e_c_new_fancy_func
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energy_x_new_functional = e_x_new_fancy_func
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energy_x_new_functional = e_x_new_fancy_func
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