Moved DavidsonDressed in plugins

plugins/All_singles/NEEDED_CHILDREN_MODULES

@@ -1 +1 @@
-Generators_restart Perturbation Properties Selectors_no_sorted Utils Davidson
+Generators_restart Perturbation Properties Selectors_no_sorted Utils DavidsonUndressed

plugins/CAS_SD_ZMQ/NEEDED_CHILDREN_MODULES

@@ -1,2 +1,2 @@
-Generators_CAS Perturbation Selectors_CASSD ZMQ Davidson
+Generators_CAS Perturbation Selectors_CASSD ZMQ DavidsonUndressed
 

plugins/CID/NEEDED_CHILDREN_MODULES

@@ -1 +1 @@
-Selectors_full SingleRefMethod Davidson
+Selectors_full SingleRefMethod DavidsonUndressed

plugins/CID_selected/NEEDED_CHILDREN_MODULES

@@ -1 +1 @@
-Perturbation CID Davidson
+Perturbation CID DavidsonUndressed

plugins/CIS/NEEDED_CHILDREN_MODULES

@@ -1 +1 @@
-Selectors_full SingleRefMethod Davidson
+Selectors_full SingleRefMethod DavidsonUndressed

plugins/CISD/NEEDED_CHILDREN_MODULES

@@ -1 +1 @@
-Selectors_full SingleRefMethod Davidson
+Selectors_full SingleRefMethod DavidsonUndressed

plugins/Casino/NEEDED_CHILDREN_MODULES

@@ -1 +1 @@
-Determinants Davidson
+Determinants DavidsonUndressed

plugins/DavidsonDressed/NEEDED_CHILDREN_MODULES

@@ -0,0 +1 @@
+Davidson

plugins/Full_CI/NEEDED_CHILDREN_MODULES

@@ -1 +1 @@
-Perturbation Selectors_full Generators_full Davidson
+Perturbation Selectors_full Generators_full DavidsonUndressed

plugins/Full_CI_ZMQ/NEEDED_CHILDREN_MODULES

@@ -1 +1 @@
-Perturbation Selectors_full Generators_full ZMQ FourIdx MPI Davidson
+Perturbation Selectors_full Generators_full ZMQ FourIdx MPI DavidsonUndressed

plugins/MRPT/NEEDED_CHILDREN_MODULES

@@ -1 +1 @@
-MRPT_Utils Selectors_full Generators_full 
+MRPT_Utils Selectors_full Generators_full  DavidsonUndressed

plugins/Properties/NEEDED_CHILDREN_MODULES

@@ -1 +1 @@
-Determinants  Davidson
+Determinants  DavidsonUndressed

plugins/QMC/NEEDED_CHILDREN_MODULES

@@ -1 +1 @@
-Determinants Davidson Full_CI_ZMQ
+Determinants DavidsonUndressed Full_CI_ZMQ

plugins/UndressedMethod/NEEDED_CHILDREN_MODULES

@@ -1 +0,0 @@
-

src/Davidson/NEEDED_CHILDREN_MODULES

@@ -1 +1 @@
-Davidson_Utils
+Determinants

src/Davidson/README.rst

@@ -1,14 +1,331 @@
-=================
+Davidson_Utils
-DavidsonUndressed
+==============
-=================
+
+Abstract module for Davidson diagonalization. Contains everything required for the
+Davidson algorithm, dressed or not. If a dressing is used, the dressing column should
+be defined and the DavidsonDressed module should be used. If no dressing is required,
+the Davidson module should be used, and it has a default null dressing vector.
 
-Module for main files with undressed Davidson
 
 Needed Modules
 ==============
 .. Do not edit this section It was auto-generated
 .. by the `update_README.py` script.
+
+
+.. image:: tree_dependency.png
+
+* `Determinants <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants>`_
+
 Documentation
 =============
 .. Do not edit this section It was auto-generated
 .. by the `update_README.py` script.
+
+
+`ci_eigenvectors <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/diagonalize_CI.irp.f#L23>`_
+  Eigenvectors/values of the CI matrix
+
+
+`ci_eigenvectors_s2 <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/diagonalize_CI.irp.f#L24>`_
+  Eigenvectors/values of the CI matrix
+
+
+`ci_electronic_energy <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/diagonalize_CI.irp.f#L22>`_
+  Eigenvectors/values of the CI matrix
+
+
+`ci_energy <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/diagonalize_CI.irp.f#L2>`_
+  N_states lowest eigenvalues of the CI matrix
+
+
+`davidson_collector <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/davidson_parallel.irp.f#L235>`_
+  Undocumented
+
+
+`davidson_converged <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/parameters.irp.f#L9>`_
+  True if the Davidson algorithm is converged
+
+
+`davidson_criterion <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/parameters.irp.f#L1>`_
+  Can be : [  energy  | residual | both | wall_time | cpu_time | iterations ]
+
+
+`davidson_diag <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/diagonalization.irp.f#L1>`_
+  Davidson diagonalization.
+  .br
+  dets_in : bitmasks corresponding to determinants
+  .br
+  u_in : guess coefficients on the various states. Overwritten
+  on exit
+  .br
+  dim_in : leftmost dimension of u_in
+  .br
+  sze : Number of determinants
+  .br
+  N_st : Number of eigenstates
+  .br
+  iunit : Unit number for the I/O
+  .br
+  Initial guess vectors are not necessarily orthonormal
+
+
+`davidson_diag_hjj <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/diagonalization.irp.f#L273>`_
+  Davidson diagonalization with specific diagonal elements of the H matrix
+  .br
+  H_jj : specific diagonal H matrix elements to diagonalize de Davidson
+  .br
+  dets_in : bitmasks corresponding to determinants
+  .br
+  u_in : guess coefficients on the various states. Overwritten
+  on exit
+  .br
+  dim_in : leftmost dimension of u_in
+  .br
+  sze : Number of determinants
+  .br
+  N_st : Number of eigenstates
+  .br
+  N_st_diag : Number of states in which H is diagonalized
+  .br
+  iunit : Unit for the I/O
+  .br
+  Initial guess vectors are not necessarily orthonormal
+
+
+`davidson_diag_hjj_sjj <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/diagonalization_hs2.irp.f#L52>`_
+  Davidson diagonalization with specific diagonal elements of the H matrix
+  .br
+  H_jj : specific diagonal H matrix elements to diagonalize de Davidson
+  .br
+  S2_out : Output : s^2
+  .br
+  dets_in : bitmasks corresponding to determinants
+  .br
+  u_in : guess coefficients on the various states. Overwritten
+  on exit
+  .br
+  dim_in : leftmost dimension of u_in
+  .br
+  sze : Number of determinants
+  .br
+  N_st : Number of eigenstates
+  .br
+  N_st_diag : Number of states in which H is diagonalized. Assumed > sze
+  .br
+  iunit : Unit for the I/O
+  .br
+  Initial guess vectors are not necessarily orthonormal
+
+
+`davidson_diag_hs2 <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/diagonalization_hs2.irp.f#L1>`_
+  Davidson diagonalization.
+  .br
+  dets_in : bitmasks corresponding to determinants
+  .br
+  u_in : guess coefficients on the various states. Overwritten
+  on exit
+  .br
+  dim_in : leftmost dimension of u_in
+  .br
+  sze : Number of determinants
+  .br
+  N_st : Number of eigenstates
+  .br
+  iunit : Unit number for the I/O
+  .br
+  Initial guess vectors are not necessarily orthonormal
+
+
+`davidson_pull_results <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/davidson_parallel.irp.f#L192>`_
+  Undocumented
+
+
+`davidson_push_results <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/davidson_parallel.irp.f#L149>`_
+  Undocumented
+
+
+`davidson_run_slave <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/davidson_parallel.irp.f#L22>`_
+  Undocumented
+
+
+`davidson_slave <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/davidson_slave.irp.f#L1>`_
+  Undocumented
+
+
+`davidson_slave_inproc <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/davidson_parallel.irp.f#L5>`_
+  Undocumented
+
+
+`davidson_slave_tcp <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/davidson_parallel.irp.f#L13>`_
+  Undocumented
+
+
+`davidson_slave_work <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/davidson_parallel.irp.f#L55>`_
+  Undocumented
+
+
+`davidson_sze_max <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/ezfio_interface.irp.f#L6>`_
+  Number of micro-iterations before re-contracting
+
+
+`det_inf <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/diagonalization.irp.f#L52>`_
+  Ordering function for determinants
+
+
+`diag_and_save <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/diagonalize_restart_and_save_one_state.irp.f#L1>`_
+  Undocumented
+
+
+`diagonalize_ci <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/diagonalize_CI.irp.f#L154>`_
+  Replace the coefficients of the CI states by the coefficients of the
+  eigenstates of the CI matrix
+
+
+`disk_based_davidson <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/ezfio_interface.irp.f#L101>`_
+  If true, disk space is used to store the vectors
+
+
+`distributed_davidson <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/ezfio_interface.irp.f#L44>`_
+  If true, use the distributed algorithm
+
+
+`find_reference <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/find_reference.irp.f#L1>`_
+  Undocumented
+
+
+`first_guess <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/guess_lowest_state.irp.f#L1>`_
+  Select all the determinants with the lowest energy as a starting point.
+
+
+`h_s2_u_0_nstates <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/u0Hu0_old.irp.f#L231>`_
+  Computes v_0 = H|u_0> and s_0 = S^2 |u_0>
+  .br
+  n : number of determinants
+  .br
+  H_jj : array of <j|H|j>
+  .br
+  S2_jj : array of <j|S^2|j>
+
+
+`h_s2_u_0_nstates_openmp <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/u0Hu0.irp.f#L11>`_
+  Computes v_0 = H|u_0> and s_0 = S^2 |u_0>
+  .br
+  Assumes that the determinants are in psi_det
+  .br
+  istart, iend, ishift, istep are used in ZMQ parallelization.
+
+
+`h_s2_u_0_nstates_openmp_work <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/u0Hu0.irp.f#L65>`_
+  Computes v_t = H|u_t> and s_t = S^2 |u_t>
+  .br
+  Default should be 1,N_det,0,1
+
+
+`h_s2_u_0_nstates_openmp_work_1 <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/u0Hu0.irp.f_template_454#L3>`_
+  Computes v_t = H|u_t> and s_t = S^2 |u_t>
+  .br
+  Default should be 1,N_det,0,1
+
+
+`h_s2_u_0_nstates_openmp_work_2 <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/u0Hu0.irp.f_template_454#L357>`_
+  Computes v_t = H|u_t> and s_t = S^2 |u_t>
+  .br
+  Default should be 1,N_det,0,1
+
+
+`h_s2_u_0_nstates_openmp_work_3 <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/u0Hu0.irp.f_template_454#L711>`_
+  Computes v_t = H|u_t> and s_t = S^2 |u_t>
+  .br
+  Default should be 1,N_det,0,1
+
+
+`h_s2_u_0_nstates_openmp_work_4 <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/u0Hu0.irp.f_template_454#L1065>`_
+  Computes v_t = H|u_t> and s_t = S^2 |u_t>
+  .br
+  Default should be 1,N_det,0,1
+
+
+`h_s2_u_0_nstates_openmp_work_n_int <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/u0Hu0.irp.f_template_454#L1419>`_
+  Computes v_t = H|u_t> and s_t = S^2 |u_t>
+  .br
+  Default should be 1,N_det,0,1
+
+
+`h_s2_u_0_nstates_test <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/u0Hu0_old.irp.f#L460>`_
+  Undocumented
+
+
+`h_s2_u_0_nstates_zmq <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/davidson_parallel.irp.f#L275>`_
+  Computes v_0 = H|u_0> and s_0 = S^2 |u_0>
+  .br
+  n : number of determinants
+  .br
+  H_jj : array of <j|H|j>
+  .br
+  S2_jj : array of <j|S^2|j>
+
+
+`h_u_0_nstates <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/u0Hu0_old.irp.f#L2>`_
+  Computes v_0 = H|u_0>
+  .br
+  n : number of determinants
+  .br
+  H_jj : array of <j|H|j>
+  .br
+
+
+`n_states_diag <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/ezfio_interface.irp.f#L82>`_
+  Number of states to consider during the Davdison diagonalization
+
+
+`nthreads_davidson <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/davidson_parallel.irp.f#L418>`_
+  Number of threads for Davdison
+
+
+`print_h_matrix_restart <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/print_H_matrix_restart.irp.f#L1>`_
+  Undocumented
+
+
+`provide_everything <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/davidson_slave.irp.f#L29>`_
+  Undocumented
+
+
+`psi_energy <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/u0Hu0.irp.f#L1>`_
+  Energy of the current wave function
+
+
+`routine <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/print_H_matrix_restart.irp.f#L9>`_
+  Undocumented
+
+
+`sort_dets_ab <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/diagonalization.irp.f#L219>`_
+  Uncodumented : TODO
+
+
+`sort_dets_ab_v <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/diagonalization.irp.f#L149>`_
+  Uncodumented : TODO
+
+
+`sort_dets_ba_v <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/diagonalization.irp.f#L120>`_
+  Uncodumented : TODO
+
+
+`state_following <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/ezfio_interface.irp.f#L25>`_
+  If true, the states are re-ordered to match the input states
+
+
+`tamiser <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/diagonalization.irp.f#L77>`_
+  Uncodumented : TODO
+
+
+`threshold_davidson <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/ezfio_interface.irp.f#L63>`_
+  Thresholds of Davidson's algorithm
+
+
+`u_0_h_u_0 <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/diagonalization_hs2.irp.f#L447>`_
+  Computes e_0 = <u_0|H|u_0>/<u_0|u_0>
+  .br
+  n : number of determinants
+  .br
+

src/DavidsonDressed/NEEDED_CHILDREN_MODULES

@@ -1 +0,0 @@
-Davidson_Utils

src/DavidsonUndressed/NEEDED_CHILDREN_MODULES

@@ -0,0 +1 @@
+Davidson

src/DavidsonUndressed/README.rst

@@ -1,8 +1,8 @@
-===============
+=================
-UndressedMethod
+DavidsonUndressed
-===============
+=================
 
-Defines a null dressing vector
+Module for main files with undressed Davidson
 
 Needed Modules
 ==============

src/Davidson_Utils/NEEDED_CHILDREN_MODULES

@@ -1 +0,0 @@
-Determinants

src/Davidson_Utils/README.rst

@@ -1,331 +0,0 @@
-Davidson_Utils
-==============
-
-Abstract module for Davidson diagonalization. Contains everything required for the
-Davidson algorithm, dressed or not. If a dressing is used, the dressing column should
-be defined and the DavidsonDressed module should be used. If no dressing is required,
-the Davidson module should be used, and it has a default null dressing vector.
-
-
-Needed Modules
-==============
-.. Do not edit this section It was auto-generated
-.. by the `update_README.py` script.
-
-
-.. image:: tree_dependency.png
-
-* `Determinants <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants>`_
-
-Documentation
-=============
-.. Do not edit this section It was auto-generated
-.. by the `update_README.py` script.
-
-
-`ci_eigenvectors <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/diagonalize_CI.irp.f#L23>`_
-  Eigenvectors/values of the CI matrix
-
-
-`ci_eigenvectors_s2 <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/diagonalize_CI.irp.f#L24>`_
-  Eigenvectors/values of the CI matrix
-
-
-`ci_electronic_energy <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/diagonalize_CI.irp.f#L22>`_
-  Eigenvectors/values of the CI matrix
-
-
-`ci_energy <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/diagonalize_CI.irp.f#L2>`_
-  N_states lowest eigenvalues of the CI matrix
-
-
-`davidson_collector <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/davidson_parallel.irp.f#L235>`_
-  Undocumented
-
-
-`davidson_converged <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/parameters.irp.f#L9>`_
-  True if the Davidson algorithm is converged
-
-
-`davidson_criterion <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/parameters.irp.f#L1>`_
-  Can be : [  energy  | residual | both | wall_time | cpu_time | iterations ]
-
-
-`davidson_diag <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/diagonalization.irp.f#L1>`_
-  Davidson diagonalization.
-  .br
-  dets_in : bitmasks corresponding to determinants
-  .br
-  u_in : guess coefficients on the various states. Overwritten
-  on exit
-  .br
-  dim_in : leftmost dimension of u_in
-  .br
-  sze : Number of determinants
-  .br
-  N_st : Number of eigenstates
-  .br
-  iunit : Unit number for the I/O
-  .br
-  Initial guess vectors are not necessarily orthonormal
-
-
-`davidson_diag_hjj <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/diagonalization.irp.f#L273>`_
-  Davidson diagonalization with specific diagonal elements of the H matrix
-  .br
-  H_jj : specific diagonal H matrix elements to diagonalize de Davidson
-  .br
-  dets_in : bitmasks corresponding to determinants
-  .br
-  u_in : guess coefficients on the various states. Overwritten
-  on exit
-  .br
-  dim_in : leftmost dimension of u_in
-  .br
-  sze : Number of determinants
-  .br
-  N_st : Number of eigenstates
-  .br
-  N_st_diag : Number of states in which H is diagonalized
-  .br
-  iunit : Unit for the I/O
-  .br
-  Initial guess vectors are not necessarily orthonormal
-
-
-`davidson_diag_hjj_sjj <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/diagonalization_hs2.irp.f#L52>`_
-  Davidson diagonalization with specific diagonal elements of the H matrix
-  .br
-  H_jj : specific diagonal H matrix elements to diagonalize de Davidson
-  .br
-  S2_out : Output : s^2
-  .br
-  dets_in : bitmasks corresponding to determinants
-  .br
-  u_in : guess coefficients on the various states. Overwritten
-  on exit
-  .br
-  dim_in : leftmost dimension of u_in
-  .br
-  sze : Number of determinants
-  .br
-  N_st : Number of eigenstates
-  .br
-  N_st_diag : Number of states in which H is diagonalized. Assumed > sze
-  .br
-  iunit : Unit for the I/O
-  .br
-  Initial guess vectors are not necessarily orthonormal
-
-
-`davidson_diag_hs2 <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/diagonalization_hs2.irp.f#L1>`_
-  Davidson diagonalization.
-  .br
-  dets_in : bitmasks corresponding to determinants
-  .br
-  u_in : guess coefficients on the various states. Overwritten
-  on exit
-  .br
-  dim_in : leftmost dimension of u_in
-  .br
-  sze : Number of determinants
-  .br
-  N_st : Number of eigenstates
-  .br
-  iunit : Unit number for the I/O
-  .br
-  Initial guess vectors are not necessarily orthonormal
-
-
-`davidson_pull_results <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/davidson_parallel.irp.f#L192>`_
-  Undocumented
-
-
-`davidson_push_results <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/davidson_parallel.irp.f#L149>`_
-  Undocumented
-
-
-`davidson_run_slave <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/davidson_parallel.irp.f#L22>`_
-  Undocumented
-
-
-`davidson_slave <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/davidson_slave.irp.f#L1>`_
-  Undocumented
-
-
-`davidson_slave_inproc <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/davidson_parallel.irp.f#L5>`_
-  Undocumented
-
-
-`davidson_slave_tcp <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/davidson_parallel.irp.f#L13>`_
-  Undocumented
-
-
-`davidson_slave_work <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/davidson_parallel.irp.f#L55>`_
-  Undocumented
-
-
-`davidson_sze_max <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/ezfio_interface.irp.f#L6>`_
-  Number of micro-iterations before re-contracting
-
-
-`det_inf <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/diagonalization.irp.f#L52>`_
-  Ordering function for determinants
-
-
-`diag_and_save <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/diagonalize_restart_and_save_one_state.irp.f#L1>`_
-  Undocumented
-
-
-`diagonalize_ci <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/diagonalize_CI.irp.f#L154>`_
-  Replace the coefficients of the CI states by the coefficients of the
-  eigenstates of the CI matrix
-
-
-`disk_based_davidson <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/ezfio_interface.irp.f#L101>`_
-  If true, disk space is used to store the vectors
-
-
-`distributed_davidson <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/ezfio_interface.irp.f#L44>`_
-  If true, use the distributed algorithm
-
-
-`find_reference <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/find_reference.irp.f#L1>`_
-  Undocumented
-
-
-`first_guess <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/guess_lowest_state.irp.f#L1>`_
-  Select all the determinants with the lowest energy as a starting point.
-
-
-`h_s2_u_0_nstates <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/u0Hu0_old.irp.f#L231>`_
-  Computes v_0 = H|u_0> and s_0 = S^2 |u_0>
-  .br
-  n : number of determinants
-  .br
-  H_jj : array of <j|H|j>
-  .br
-  S2_jj : array of <j|S^2|j>
-
-
-`h_s2_u_0_nstates_openmp <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/u0Hu0.irp.f#L11>`_
-  Computes v_0 = H|u_0> and s_0 = S^2 |u_0>
-  .br
-  Assumes that the determinants are in psi_det
-  .br
-  istart, iend, ishift, istep are used in ZMQ parallelization.
-
-
-`h_s2_u_0_nstates_openmp_work <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/u0Hu0.irp.f#L65>`_
-  Computes v_t = H|u_t> and s_t = S^2 |u_t>
-  .br
-  Default should be 1,N_det,0,1
-
-
-`h_s2_u_0_nstates_openmp_work_1 <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/u0Hu0.irp.f_template_454#L3>`_
-  Computes v_t = H|u_t> and s_t = S^2 |u_t>
-  .br
-  Default should be 1,N_det,0,1
-
-
-`h_s2_u_0_nstates_openmp_work_2 <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/u0Hu0.irp.f_template_454#L357>`_
-  Computes v_t = H|u_t> and s_t = S^2 |u_t>
-  .br
-  Default should be 1,N_det,0,1
-
-
-`h_s2_u_0_nstates_openmp_work_3 <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/u0Hu0.irp.f_template_454#L711>`_
-  Computes v_t = H|u_t> and s_t = S^2 |u_t>
-  .br
-  Default should be 1,N_det,0,1
-
-
-`h_s2_u_0_nstates_openmp_work_4 <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/u0Hu0.irp.f_template_454#L1065>`_
-  Computes v_t = H|u_t> and s_t = S^2 |u_t>
-  .br
-  Default should be 1,N_det,0,1
-
-
-`h_s2_u_0_nstates_openmp_work_n_int <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/u0Hu0.irp.f_template_454#L1419>`_
-  Computes v_t = H|u_t> and s_t = S^2 |u_t>
-  .br
-  Default should be 1,N_det,0,1
-
-
-`h_s2_u_0_nstates_test <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/u0Hu0_old.irp.f#L460>`_
-  Undocumented
-
-
-`h_s2_u_0_nstates_zmq <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/davidson_parallel.irp.f#L275>`_
-  Computes v_0 = H|u_0> and s_0 = S^2 |u_0>
-  .br
-  n : number of determinants
-  .br
-  H_jj : array of <j|H|j>
-  .br
-  S2_jj : array of <j|S^2|j>
-
-
-`h_u_0_nstates <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/u0Hu0_old.irp.f#L2>`_
-  Computes v_0 = H|u_0>
-  .br
-  n : number of determinants
-  .br
-  H_jj : array of <j|H|j>
-  .br
-
-
-`n_states_diag <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/ezfio_interface.irp.f#L82>`_
-  Number of states to consider during the Davdison diagonalization
-
-
-`nthreads_davidson <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/davidson_parallel.irp.f#L418>`_
-  Number of threads for Davdison
-
-
-`print_h_matrix_restart <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/print_H_matrix_restart.irp.f#L1>`_
-  Undocumented
-
-
-`provide_everything <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/davidson_slave.irp.f#L29>`_
-  Undocumented
-
-
-`psi_energy <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/u0Hu0.irp.f#L1>`_
-  Energy of the current wave function
-
-
-`routine <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/print_H_matrix_restart.irp.f#L9>`_
-  Undocumented
-
-
-`sort_dets_ab <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/diagonalization.irp.f#L219>`_
-  Uncodumented : TODO
-
-
-`sort_dets_ab_v <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/diagonalization.irp.f#L149>`_
-  Uncodumented : TODO
-
-
-`sort_dets_ba_v <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/diagonalization.irp.f#L120>`_
-  Uncodumented : TODO
-
-
-`state_following <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/ezfio_interface.irp.f#L25>`_
-  If true, the states are re-ordered to match the input states
-
-
-`tamiser <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/diagonalization.irp.f#L77>`_
-  Uncodumented : TODO
-
-
-`threshold_davidson <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/ezfio_interface.irp.f#L63>`_
-  Thresholds of Davidson's algorithm
-
-
-`u_0_h_u_0 <http://github.com/LCPQ/quantum_package/tree/master/src/Davidson/diagonalization_hs2.irp.f#L447>`_
-  Computes e_0 = <u_0|H|u_0>/<u_0|u_0>
-  .br
-  n : number of determinants
-  .br
-