More corrections for documenting

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

@@ -929,7 +929,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "a95ab5cc",
+   "id": "e4cdf3b2",
    "metadata": {},
    "source": [
     "## 4. run_parent_hamiltonian function\n",
@@ -944,7 +944,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "f97d6e0f",
+   "id": "1cae3e40",
    "metadata": {},
    "source": [
     "## 5. Command Line execution\n",
@@ -963,7 +963,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "016545ec",
+   "id": "0d4604b0",
    "metadata": {},
    "source": [
     "## 6. Massive PH computations\n",
@@ -982,6 +982,14 @@
     "  * **--print**: for printing the parent hamiltonian configuration.\n",
     "  * **--exe**: for executing the parent hamiltonian execution indicated by **--all** or by **-id ID**."
    ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "d665bba2",
+   "metadata": {},
+   "outputs": [],
+   "source": []
   }
  ],
  "metadata": {

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

@@ -7,7 +7,7 @@
    "source": [
     "# Using PH_EXE class\n",
     "\n",
-    "This notebook explains how to use the **PH_EXE** class inside *execution_ph* module. \n",
+    "This notebook explains how to use the **PH\\_EXE** class inside **vqe\\_step** module. \n",
     "\n",
     "This class, given an ansatz and its parent hamiltonian, provided as a string  Pauli decomposition, computes the asociated ground state energy (that should be near zero)."
    ]
@@ -84,19 +84,28 @@
    "source": [
     "Before doing the siumulation we need to perform several steps:\n",
     "\n",
-    "1. Ansatz Definition\n",
-    "2. Ansatz Solving\n",
-    "3. Parent Hamiltonian Computation"
+    "1. Ansatz Definition and Solving (doing with functions from **ansatzes** module).\n",
+    "2. Parent Hamiltonian Computation (doing with functions from **parent\\_hamiltonian** module)"
    ]
   },
   {
    "cell_type": "markdown",
    "id": "206806ed",
    "metadata": {},
    "source": [
-    "## 1. Ansatz Definition\n",
+    "## 1. Ansatz Definition and Solving\n",
     "\n",
-    "First we need to create the myqlm cirucit implementation of the desired ansatz (see notebook **01_Ansatzes.ipynb**) "
+    "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"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "fe58f7a8",
+   "metadata": {},
+   "source": [
+    "### Ansatz definition\n",
+    "\n",
+    "First we define an ansatz circuit"
    ]
   },
   {
@@ -175,7 +184,7 @@
    "id": "1dfdb9e4",
    "metadata": {},
    "source": [
-    "## 2. Ansatz Solution\n",
+    "### Ansatz Solution\n",
     "\n",
     "Now we need to fix the parameters of the ansatz and solving it(see notebook **01_Ansatzes.ipynb**)"
    ]
@@ -238,9 +247,9 @@
    "id": "31ee289c",
    "metadata": {},
    "source": [
-    "## 3. Parent Hamiltonian Computation\n",
+    "## 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."
+    "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)"
    ]
   },
   {
@@ -323,7 +332,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "from execution_ph import PH_EXE"
+    "from vqe_step import PH_EXE"
    ]
   },
   {
@@ -403,6 +412,75 @@
    "source": [
     "If save was required the complete information (axis 1 concatenation of *exe_ph.pdf_result* and *exe_ph.pdf_result*) will be saved as: folder + filename+*_phexe.csv*"
    ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "55bd78eb",
+   "metadata": {},
+   "source": [
+    "## 5. run_ph_execution\n",
+    "\n",
+    "Inside the module **vqe_step** the **run_ph_execution** function can be found. This function uses typical **CSV** files from **ansatzes** and **parent_hamiltonian** modules for executing a **VQE** step. The input of this function is a **kwargs** (called **configuration**) where following keywords are processed:\n",
+    "\n",
+    "* base_fn: Base name for the files generated by **ansatzes** and **parent_hamiltonian**. The pattern of the name must be the following: **ansatz\\_{}\\_nqubits\\_{}\\_depth\\_{}\\_qpu_ansatz\\_{}**. It is mandatory that following files exist:\n",
+    "    * **ansatz\\_{}\\_nqubits\\_{}\\_depth\\_{}\\_qpu_ansatz\\_{}\\_parameter.csv**: with the angles of the ansatz\n",
+    "    * **ansatz\\_{}\\_nqubits\\_{}\\_depth\\_{}\\_qpu_ansatz\\_{}\\_pauli.csv**: with the Pauli decomposition of the **PH**.\n",
+    "    * From the *base_fn* following variables are extracted: \n",
+    "        * ansatz\n",
+    "        * nqubits\n",
+    "        * depth\n",
+    "* qpu_ph: name with the qpu for executing the **VQE** step simulation. Valid names: [qlmass, python, c].\n",
+    "* nb_shots: for setting the  number of shots for the **VQE** step. Only valid for **nb_shots=qlmass**\n",
+    "* t_inv: True if the ansatz is transaltional invariant.\n",
+    "* truncation: integer for tuncating the Pauli coefficients\n",
+    "* save: for saving the results. The results will be saved with the followi9ng pattern:\n",
+    "    * **ansatz\\_{}\\_nqubits\\_{}\\_depth\\_{}\\_qpu_ansatz\\_{}\\_ph\\_exe.csv**"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "1950d87c",
+   "metadata": {},
+   "source": [
+    "## 6. Command Line execution\n",
+    "\n",
+    "The **run_ph_execution** function from module **vqe_step**  can be executed from command line. Several arguments can be passed for configuring the **VQE** step computation. A help can be obtained by:\n",
+    "\n",
+    "**python vqe_step.py -h**\n",
+    "\n",
+    "Arguments can be:\n",
+    "\n",
+    "* -basefn BASE_FN: Base Filename for Loading Files\n",
+    "* -nb_shots NB_SHOTS    Number of shots\n",
+    "* -truncation TRUNCATION: Truncation for Pauli coeficients.\n",
+    "* -qpu_ph QPU_PH: QPU for **VQE** simulation: [qlmass, python, c]\n",
+    "* --t_inv: Setting translational invariant of the ansatz\n",
+    "* --save: For storing results"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "1eea57b0",
+   "metadata": {},
+   "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",
+    "\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",
+    "    * t_inv: for setting if the ansatz is, or not, translational invariant.\n",
+    "    * base_fn: base name for the inputs files.\n",
+    "    * nb_shots: number of shots for **VQE** step.\n",
+    "    * qpu_ph: qpu for executing **VQE** step.\n",
+    "    * truncation: for tuncating Pauli coefficients.\n",
+    "* **launch_vqe_step.py**: This scripts procces the before **JSON** file creating a complete list of all posible **VQE** calculations. By providing different arguments a selected configuration (or all of them) can be chosen. For getting help use: **launch_vqe_step.py -h**. Following arguments can be provided:\n",
+    "  * **--count**: Getting the number of posible **VQE** steps from the **vqe\\_stepjson** JSON file.\n",
+    "  * **--all**: for selecting all the posible **VQE** steps from the **vqe\\_stepjson** JSON file.\n",
+    "  * **-id ID**: for selecting a single (the **ID** one) **VQE** step from the **vqe\\_stepjson** JSON file.\n",
+    "  * **--print**: for printing the **VQE** step configuration.\n",
+    "  * **--exe**: for executing the **VQE** execution indicated by **--all** or by **-id ID**."
+   ]
   }
  ],
  "metadata": {

tnbs/BTC_04_PH/PH/vqe_step.json

@@ -1,7 +1,6 @@
 [
     {
         "save": [true],
-        "t_inv": [true],
         "base_fn" : ["Test/ansatz_simple01_nqubits_12_depth_1_qpu_ansatz_c"],
         "nb_shots": [null],
         "truncation": [null],
@@ -11,7 +10,6 @@
     },
     {
         "save": [true],
-        "t_inv": [true],
         "base_fn" : ["Test/ansatz_simple01_nqubits_12_depth_2_qpu_ansatz_c"],
         "nb_shots": [null],
         "truncation": [null],
@@ -21,7 +19,6 @@
     },
     {
         "save": [true],
-        "t_inv": [true],
         "base_fn" : ["Test/ansatz_simple01_nqubits_12_depth_3_qpu_ansatz_c"],
         "nb_shots": [null],
         "truncation": [null],
@@ -31,7 +28,6 @@
     },
     {
         "save": [true],
-        "t_inv": [true],
         "base_fn" : ["Test/ansatz_simple01_nqubits_12_depth_4_qpu_ansatz_c"],
         "nb_shots": [null],
         "truncation": [null],
@@ -41,7 +37,6 @@
     },
     {
         "save": [true],
-        "t_inv": [true],
         "base_fn" : ["Test/ansatz_simple01_nqubits_14_depth_1_qpu_ansatz_c"],
         "nb_shots": [null],
         "truncation": [null],
@@ -51,7 +46,6 @@
     },
     {
         "save": [true],
-        "t_inv": [true],
         "base_fn" : ["Test/ansatz_simple01_nqubits_14_depth_2_qpu_ansatz_c"],
         "nb_shots": [null],
         "truncation": [null],
@@ -61,7 +55,6 @@
     },
     {
         "save": [true],
-        "t_inv": [true],
         "base_fn" : ["Test/ansatz_simple01_nqubits_14_depth_3_qpu_ansatz_c"],
         "nb_shots": [null],
         "truncation": [null],
@@ -71,7 +64,6 @@
     },
     {
         "save": [true],
-        "t_inv": [true],
         "base_fn" : ["Test/ansatz_simple01_nqubits_14_depth_4_qpu_ansatz_c"],
         "nb_shots": [null],
         "truncation": [null],