Removed dupicate provider

plugins/local/tc_scf/README.md

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+Transcorrelated SCF
+===================

src/ao_extra_basis/EZFIO.cfg

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+[ao_extra_basis]
+type: character*(256)
+doc: Name of the |ao_extra| basis set
+interface: ezfio
+
+[ao_extra_only_1s]
+type: logical
+doc: If |true|, you know that the additional AO basis is built only with 1s functions 
+interface: ezfio, provider
+default: true
+
+[ao_extra_num]
+type: integer
+doc: Number of |ao_extras|
+interface: ezfio, provider
+
+[ao_extra_prim_num]
+type: integer
+doc: Number of primitives per |ao_extra|
+size: (ao_extra_basis.ao_extra_num)
+interface: ezfio, provider
+
+[ao_extra_prim_num_max]
+type: integer
+doc: Maximum number of primitives
+default: =maxval(ao_extra_basis.ao_extra_prim_num)
+interface: ezfio
+
+[ao_extra_nucl]
+type: integer
+doc: Index of the nucleus on which the |ao_extra| is centered
+size: (ao_extra_basis.ao_extra_num)
+interface: ezfio, provider
+
+[ao_extra_power]
+type: integer
+doc: Powers of x, y and z for each |ao_extra|
+size: (ao_extra_basis.ao_extra_num,3)
+interface: ezfio, provider
+
+[ao_extra_coef]
+type: double precision
+doc: Primitive coefficients, read from input. Those should not be used directly, as the MOs are expressed on the basis of **normalized** ao_extras.
+size: (ao_extra_basis.ao_extra_num,ao_extra_basis.ao_extra_prim_num_max)
+interface: ezfio, provider
+
+[ao_extra_expo]
+type: double precision
+doc: Exponents for each primitive of each |ao_extra|
+size: (ao_extra_basis.ao_extra_num,ao_extra_basis.ao_extra_prim_num_max)
+interface: ezfio, provider
+
+[ao_extra_md5]
+type: character*(32)
+doc: MD5 key, specific of the |ao_extra| basis
+interface: ezfio, provider
+
+[ao_extra_cartesian]
+type: logical
+doc: If |true|, use |ao_extras| in Cartesian coordinates (6d,10f,...)
+interface: ezfio, provider
+default: false
+
+[ao_extra_normalized]
+type: logical
+doc: Use normalized basis functions
+interface: ezfio, provider
+default: true
+
+[primitives_normalized_extra]
+type: logical
+doc: Use normalized primitive functions
+interface: ezfio, provider
+default: true
+
+[ao_extra_expo_im]
+type: double precision
+doc: imag part for Exponents for each primitive of each cGTOs |ao_extra|
+size: (ao_extra_basis.ao_extra_num,ao_extra_basis.ao_extra_prim_num_max)
+interface: ezfio, provider
+
+[ao_extra_expo_pw]
+type: double precision
+doc: plane wave part for each primitive GTOs |ao_extra|
+size: (3,ao_extra_basis.ao_extra_num,ao_extra_basis.ao_extra_prim_num_max)
+interface: ezfio, provider
+
+[ao_extra_expo_phase]
+type: double precision
+doc: phase shift for each primitive GTOs |ao_extra|
+size: (3,ao_extra_basis.ao_extra_num,ao_extra_basis.ao_extra_prim_num_max)
+interface: ezfio, provider
+
+[ao_extra_one_e_dm]
+type: double precision
+doc: reduced density matrix on the ao extra basis 
+size: (ao_extra_basis.ao_extra_num,ao_extra_basis.ao_extra_num)
+interface: ezfio, provider
+
+[ao_extra_center]
+type: double precision
+doc: shift with which the atoms are shifted to mimick p functions
+interface: ezfio
+

src/ao_extra_basis/LiH.xyz

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+2
+
+H 0. 0. 0.
+Li 0. 0. 1.0

src/ao_extra_basis/NEED

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+extra_nuclei
+basis
+ao_basis

src/ao_extra_basis/README.rst

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+===========
+extra_basis
+===========
+
+Plugin to handle an extra basis, which is attached to the extra_nuclei.
+It is essentially a duplication of all important quantities (coefficients, exponents and so on) of the usual |AO| basis. 
+
+An interesting feature is the possibility to fit any basis made at most with "p" functions onto a purely "s" basis. 
+This is done with the various scripts here: 
+
+ - qp_fit_1s_basis : script that creates an |EZFIO| folder corresponding to an .xyz file and a basis fitted with only "s" functions
+ - qp_add_extra_fit_system : script that takes as input an |EZFIO| folder and an .xyz file and add an extra_basis and extra_nuclei with a 1s fitted basis
+
+Ex: 
+qp_add_extra_fit_system LiH.ezfio/ h2o.xyz # takes the EZFIO folder "LiH.ezfio" and creates all necessary additional basis and nuclei based on h2o.xyz, but only with 1s functions.