Minor corrections

tnbs/BTC_02_AE/ae_sine_integral.py

@@ -169,9 +169,9 @@ def select_ae(ae_method):
     """
 
     folder_json = os.getcwd()
-    folder_json = re.sub(
-        r"WP3_Benchmark/(?=WP3_Benchmark/)*.*", "WP3_Benchmark/", folder_json)
-    folder_json = folder_json + "tnbs/BTC_02_AE/jsons"
+    #folder_json = re.sub(
+    #    r"WP3_Benchmark/(?=WP3_Benchmark/)*.*", "WP3_Benchmark/", folder_json)
+    folder_json = folder_json + "/jsons"
     lista_ae_ = []
     if ae_method == "MLAE":
         lista_ae_.append(folder_json+"/integral_mlae_configuration.json")

tnbs/BTC_04_PH/PH/notebooks/01_ParentHamiltonianBencmark.ipynb

@@ -33,7 +33,6 @@
    ]
   },
   {
-   "attachments": {},
    "cell_type": "markdown",
    "id": "69e54053-190f-431b-b3da-5342a480f21f",
    "metadata": {},
@@ -151,9 +150,9 @@
  ],
  "metadata": {
   "kernelspec": {
-   "display_name": "Python [conda env:tnbs2c] *",
+   "display_name": "Python 3 (ipykernel)",
    "language": "python",
-   "name": "conda-env-tnbs2c-py"
+   "name": "python3"
   },
   "language_info": {
    "codemirror_mode": {
@@ -165,7 +164,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.11.7"
+   "version": "3.9.9"
   }
  },
  "nbformat": 4,

tnbs/BTC_04_PH/PH/notebooks/02_Ansatzes.ipynb

@@ -77,7 +77,7 @@
    "source": [
     "## 1. ansatzes module\n",
     "\n",
-    "One mandatory step for using the Parent Hamiltonian, **PH**, library (see notebook **02_Using_PH_Class.ipynb**) is computing for a given ansatz its complete state. This is the amplitudes of the state in the computational $n$ qubit basis. \n",
+    "One mandatory step for using the Parent Hamiltonian, **PH**, library (see notebook **03_Using_PH_Class.ipynb**) is computing for a given ansatz its complete state. This is the amplitudes of the state in the computational $n$ qubit basis. \n",
     "\n",
     "In the *ansatzes* module of the **PH** library, several functions and classes for dealing with this part of the computation were done.\n"
    ]
@@ -101,6 +101,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
+    "sys.path.append(\"../\")\n",
     "from ansatzes import SolveCircuit"
    ]
   },
@@ -978,21 +979,13 @@
     "    * --count: give the number of all the possible recoverings from **get\\_jobs.json** file.\n",
     "    * --exe: for executing the complete recovery.\n"
    ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "5061b17e-8031-4203-a6f7-ba3ced2c8fff",
-   "metadata": {},
-   "outputs": [],
-   "source": []
   }
  ],
  "metadata": {
   "kernelspec": {
-   "display_name": "Python [conda env:tnbs2c] *",
+   "display_name": "Python 3 (ipykernel)",
    "language": "python",
-   "name": "conda-env-tnbs2c-py"
+   "name": "python3"
   },
   "language_info": {
    "codemirror_mode": {
@@ -1004,7 +997,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.11.7"
+   "version": "3.9.9"
   }
  },
  "nbformat": 4,

tnbs/BTC_04_PH/PH/notebooks/03_Using_PH_Class.ipynb

@@ -115,7 +115,7 @@
    "source": [
     "## 1. Input Ansatz\n",
     "\n",
-    "To create a Parent Hamiltonian (**PH**) with our software we need, given an input ansatz, the complete state of the ansatz. This is the amplitudes of the state of the ansatz in the computational $n$ qubit basis. In the module *ansatzes* of the **PH** library several ansatzes are defined and a *SolveCircuit* class for simulating and getting results using **Atos myqlm** is provided (see notebook **01_Ansatzes.ipynb** for an explanation and use of this module). Here we use the **ansatz_qlm_01** that is the **Atos myqlm** implementation of the ansatz in the github:\n",
+    "To create a Parent Hamiltonian (**PH**) with our software we need, given an input ansatz, the complete state of the ansatz. This is the amplitudes of the state of the ansatz in the computational $n$ qubit basis. In the module *ansatzes* of the **PH** library several ansatzes are defined and a *SolveCircuit* class for simulating and getting results using **Atos myqlm** is provided (see notebook **02_Ansatzes.ipynb** for an explanation and use of this module). Here we use the **ansatz_qlm_01** that is the **Atos myqlm** implementation of the ansatz in the github:\n",
     "\n",
     "https://github.com/FumiKobayashi/Parent_Hamiltonian_as_a_benchmark_problem_for_variational_quantum_eigensolvers\n",
     "\n",
@@ -962,7 +962,7 @@
    "source": [
     "**Example**\n",
     "\n",
-    "We are going to use the example provided in the **01_Ansatzes.ipynb** where we have used the **ansatzes.py** module for doing computations for a **simple_02** ansatz of 6 **qubits** and **depth** 2. We need to have the following files in the folder **Saves**:\n",
+    "We are going to use the example provided in the **02_Ansatzes.ipynb** where we have used the **ansatzes.py** module for doing computations for a **simple_02** ansatz of 6 **qubits** and **depth** 2. We need to have the following files in the folder **Saves**:\n",
     "\n",
     "* ansatz_simple02_nqubits_6_depth_2_qpu_ansatz_c_parameters.csv\n",
     "* ansatz_simple02_nqubits_6_depth_2_qpu_ansatz_c_state.csv\n",
@@ -1024,7 +1024,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.11.7"
+   "version": "3.9.9"
   }
  },
  "nbformat": 4,

tnbs/BTC_04_PH/PH/notebooks/04_ParentHamiltonian_execution.ipynb

@@ -93,7 +93,7 @@
    "source": [
     "## 1. Ansatz Definition and Solving\n",
     "\n",
-    "We neeed to define an ansatz circuit and solving it for getting its state (see **01_Ansatzes.ipynb**. We can use the functions from **ansatzes** module"
+    "We neeed to define an ansatz circuit and solving it for getting its state (see **02_Ansatzes.ipynb**. We can use the functions from **ansatzes** module"
    ]
   },
   {
@@ -184,7 +184,7 @@
    "source": [
     "### Ansatz Solution\n",
     "\n",
-    "Now we need to fix the parameters of the ansatz and solving it(see notebook **01_Ansatzes.ipynb**)"
+    "Now we need to fix the parameters of the ansatz and solving it(see notebook **02_Ansatzes.ipynb**)"
    ]
   },
   {
@@ -247,7 +247,7 @@
    "source": [
     "## 2. Parent Hamiltonian Computation\n",
     "\n",
-    "With the obtained state of the ansatz, we need to compute the Parent Hamiltonian and get its Pauli string decomposition. Here we use the **parent\\_hamiltonian** module (see notebook **02_Using_PH_Class.ipynb** for more information)"
+    "With the obtained state of the ansatz, we need to compute the Parent Hamiltonian and get its Pauli string decomposition. Here we use the **parent\\_hamiltonian** module (see notebook **03_Using_PH_Class.ipynb** for more information)"
    ]
   },
   {
@@ -475,7 +475,7 @@
    "source": [
     "**Example**\n",
     "\n",
-    "We are going to use the example provided in the **01_Ansatzes.ipynb** and **02_Using_PH_Class.ipynb** notebooks where we have used the **ansatzes.py** module for doing computations for a **simple_02** ansatz of 6 **qubits** and **depth** 2, and the **parent_hamiltonian.py** module for computing the corresponding Pauli decomposition of its parent Hamiltonian. We need to have the following files in the folder **Saves**:\n",
+    "We are going to use the example provided in the **02_Ansatzes.ipynb** and **03_Using_PH_Class.ipynb** notebooks where we have used the **ansatzes.py** module for doing computations for a **simple_02** ansatz of 6 **qubits** and **depth** 2, and the **parent_hamiltonian.py** module for computing the corresponding Pauli decomposition of its parent Hamiltonian. We need to have the following files in the folder **Saves**:\n",
     "\n",
     "* ansatz_simple02_nqubits_6_depth_2_qpu_ansatz_c_parameters.csv\n",
     "* ansatz_simple02_nqubits_6_depth_2_qpu_ansatz_c_state.csv\n",
@@ -485,12 +485,11 @@
     "\n",
     "Now we can use the **vqe_step.py** module for executing a **VQE** step by using the following command (we have set truncation to 3 so all Pauli coefficients lower than $10^{-3}$ will be pruned):\n",
     "\n",
-    "    python vqe_step.py -basefn Saves/ansatz_simple02_nqubits_6_depth_2_qpu_ansatz_c -qpu_ph c -truncation 3 \n",
-    "--savee\n",
+    "    python vqe_step.py -basefn Saves/ansatz_simple02_nqubits_6_depth_2_qpu_ansatz_c -qpu_ph c -truncation 3 --save\n",
     "\n",
     "Now in the **Saves** folder, we should find the following fils (in addition to the other ones)\n",
     "\n",
-    "* ansatz_simple02_nqubits_6_depth_2_qpu_ansatz_c_phexe.csv)"
+    "* ansatz_simple02_nqubits_6_depth_2_qpu_ansatz_c_phexe.csv"
    ]
   },
   {
@@ -500,7 +499,7 @@
    "source": [
     "## 7. Massive VQE step computations\n",
     "\n",
-    "As for the case of masive ansatz state and parent hamiltonian computations (see Notebook 01_Ansatzes.ipynb and 02_Using_PH_Class.ipynb) we can execute masive **VQE** step computations.For this the 2 following files can be used:\n",
+    "As for the case of masive ansatz state and parent hamiltonian computations (see Notebook **02_Ansatzes.ipynb and 03_Using_PH_Class.ipynb**) we can execute masive **VQE** step computations.For this the 2 following files can be used:\n",
     "\n",
     "* **vqe\\_step.json**: JSON file with the configuration for the **VQE** step computations. For each desired computation a complete dictionary should be provided. The keys are:\n",
     "    * save: for saving or not the results\n",
@@ -534,7 +533,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.11.7"
+   "version": "3.9.9"
   }
  },
  "nbformat": 4,

tnbs/BTC_04_PH/PH/notebooks/05_CompleteWorkflow.ipynb

@@ -9,9 +9,9 @@
     "\n",
     "The **PH** pacakge has a very modular structure for dealing with the different parts of the **PH** benchmark test case:\n",
     "\n",
-    "* module **ansatzes** deals with ansatz circuit creation and solving (see notebook: **01_Ansatzes.ipynb**)\n",
-    "* module **parent_hamiltonian**: has functions and class for computing the Parent Hamiltonian and its Pauli String decomposition (see notebook **02_Using_PH_Class.ipynb**)\n",
-    "* module *vqe_step*: deals with the computation of the ground state energy for a given ansatz and parent hamiltonian (see notebook **03_ParentHamiltonian_execution.ipynb**).\n",
+    "* module **ansatzes** deals with ansatz circuit creation and solving (see notebook: **02_Ansatzes.ipynb**)\n",
+    "* module **parent_hamiltonian**: has functions and class for computing the Parent Hamiltonian and its Pauli String decomposition (see notebook **03_Using_PH_Class.ipynb**)\n",
+    "* module *vqe_step*: deals with the computation of the ground state energy for a given ansatz and parent hamiltonian (see notebook **04_ParentHamiltonian_execution.ipynb**).\n",
     "\n",
     "In this notebook the module **workflow** is reviewed. This module group all the aforementioned modules for execute a complete Benchamrk Test Case for a **PH Kernel**\n"
    ]
@@ -242,7 +242,7 @@
    "source": [
     "Examples:\n",
     "\n",
-    "We can reproduce the examples from notebooks **01_Ansatzes.ipynb**, **02_Using_PH_Class.ipynb** and **03_ParentHamiltonian_execution.ipynb**: we are going to develop the complete workflow for an ansatz *simple_02* of 6 *qubits* and with *depth* 3. We are going to use a *truncation* of 3 ($10^{-3}$) for pruning the Pauli decomposition. We are going to save all into the *Saves2* folder:\n",
+    "We can reproduce the examples from notebooks **02_Ansatzes.ipynb**, **03_Using_PH_Class.ipynb** and **04_ParentHamiltonian_execution.ipynb**: we are going to develop the complete workflow for an ansatz *simple_02* of 6 *qubits* and with *depth* 3. We are going to use a *truncation* of 3 ($10^{-3}$) for pruning the Pauli decomposition. We are going to save all into the *Saves2* folder:\n",
     "\n",
     "    python workflow.py -nqubits 6 -depth 2 -ansatz simple02 -qpu_ansatz c -truncation 3 -qpu_ph c -folder Saves2 --save\n",
     "\n",
@@ -253,7 +253,7 @@
     "* \n",
     "ansatz_simple02_nqubits_6_depth_2_qpu_ansatz_c_pauli.cs\n",
     "*  ansatz_simple02_nqubits_6_depth_2_qpu_ansatz_c_solve_ansatz_time.cs\n",
-    "* \r\n",
+    "* \n",
     "ansatz_simple02_nqubits_6_depth_2_qpu_ansatz_c_ph_time.c\n",
     "*   ansatz_simple02_nqubits_6_depth_2_qpu_ansatz_c_state.csv"
    ]
@@ -294,7 +294,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.11.7"
+   "version": "3.9.9"
   }
  },
  "nbformat": 4,

tnbs/BTC_04_PH/PH/notebooks/06_ParentHamiltonian_with_MPS.ipynb

@@ -418,16 +418,8 @@
     "\n",
     "For doing a parent Hamiltonian computation for a *simple01* ansatz of 24 *qubits* with *depth* 4 type and with a truncation for SVD of 0.001 type\n",
     "\n",
-    "    python  parent_hamiltonian_mps.py -nqubits 24 -depth 4 --truncate -t_v 0.001 --t_inv --save  --exe -folder SavesMPSg program"
+    "    python  parent_hamiltonian_mps.py -nqubits 24 -depth 4 --truncate -t_v 0.001 --t_inv --save  --exe -folder SavesMPS"
    ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "4eef6f38-0988-45c1-9bdf-c173b0891f3b",
-   "metadata": {},
-   "outputs": [],
-   "source": []
   }
  ],
  "metadata": {
@@ -446,7 +438,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.11.7"
+   "version": "3.9.9"
   }
  },
  "nbformat": 4,

tnbs/BTC_04_PH/PH/notebooks/08_ReducedDensityMatriceswithMPS.ipynb

@@ -11,7 +11,7 @@
     "$$\\newcommand{\\ket}[1]{\\left|{#1}\\right\\rangle}$$\n",
     "$$\\newcommand{\\bra}[1]{\\left\\langle{#1}\\right|}$$\n",
     "\n",
-    "As explained in notebooks: *02_Using_PH_Class.ipynb* and *05_ParentHamiltonian_with_MPS.ipynb* the main operation needed for computing a **PH** from an ansatz is the calculation of density matrices. In this notebook, we explain how to compute them when the **MPS** representation is given."
+    "As explained in notebooks: *03_Using_PH_Class.ipynb* and *06_ParentHamiltonian_with_MPS.ipynb* the main operation needed for computing a **PH** from an ansatz is the calculation of density matrices. In this notebook, we explain how to compute them when the **MPS** representation is given."
    ]
   },
   {
@@ -294,7 +294,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.11.7"
+   "version": "3.9.9"
   }
  },
  "nbformat": 4,