From 7998a44bfd4a839c3602b6e718458be1f365681c Mon Sep 17 00:00:00 2001
From: Johanna <johanna@zijderveld.de>
Date: Fri, 12 Apr 2024 14:26:10 +0200
Subject: [PATCH] put warning comments around deleted functions to help with
later cleaning
---
examples/1d_hubbard.ipynb | 4 ++++
examples/1d_hubbard_totalenergy.ipynb | 26 +++++++++++++++++++++++++-
examples/tEnergyTest.ipynb | 2 ++
3 files changed, 31 insertions(+), 1 deletion(-)
diff --git a/examples/1d_hubbard.ipynb b/examples/1d_hubbard.ipynb
index 1e35574..0216b04 100644
--- a/examples/1d_hubbard.ipynb
+++ b/examples/1d_hubbard.ipynb
@@ -70,8 +70,10 @@
"source": [
"# Set number of k-points\n",
"nk = 100\n",
+ "#model2hk is dead, use tb2khamvector instead\n",
"hk = utils.model2hk(h_0=h_0)\n",
"# Compute Hamiltonian on the corresponding k-point grid\n",
+ "#kgrid_hamiltonian is deprecated, use kfunc2kham instead\n",
"hamiltonians_0, ks = utils.kgrid_hamiltonian(nk=nk, hk=hk, dim=1, return_ks=True)\n",
"# Perform diagonalization\n",
"vals, vecs = np.linalg.eigh(hamiltonians_0)\n",
@@ -111,6 +113,8 @@
" optimizer_kwargs={'M':0, 'w0':0.1}\n",
" )\n",
" # Generate Hamiltonian on a denser k-point grid\n",
+ " #model2hk is dead, use tb2khamvector instead\n",
+ " #kgrid_hamiltonian is deprecated, use kfunc2kham instead\n",
" mf_k = utils.kgrid_hamiltonian(\n",
" nk=nk_dense, hk=utils.model2hk(h_0=mf_model), dim=model.dim\n",
" )\n",
diff --git a/examples/1d_hubbard_totalenergy.ipynb b/examples/1d_hubbard_totalenergy.ipynb
index 09a7302..4190a80 100644
--- a/examples/1d_hubbard_totalenergy.ipynb
+++ b/examples/1d_hubbard_totalenergy.ipynb
@@ -7,7 +7,27 @@
"metadata": {
"tags": []
},
- "outputs": [],
+ "outputs": [
+ {
+ "name": "stdout",
+ "output_type": "stream",
+ "text": [
+ "Intel MKL WARNING: Support of Intel(R) Streaming SIMD Extensions 4.2 (Intel(R) SSE4.2) enabled only processors has been deprecated. Intel oneAPI Math Kernel Library 2025.0 will require Intel(R) Advanced Vector Extensions (Intel(R) AVX) instructions.\n",
+ "Intel MKL WARNING: Support of Intel(R) Streaming SIMD Extensions 4.2 (Intel(R) SSE4.2) enabled only processors has been deprecated. Intel oneAPI Math Kernel Library 2025.0 will require Intel(R) Advanced Vector Extensions (Intel(R) AVX) instructions.\n"
+ ]
+ },
+ {
+ "ename": "ImportError",
+ "evalue": "cannot import name 'utils' from 'codes' (/Users/rzijderveld/kwant-scf/examples/codes/__init__.py)",
+ "output_type": "error",
+ "traceback": [
+ "\u001b[0;31m---------------------------------------------------------------------------\u001b[0m",
+ "\u001b[0;31mImportError\u001b[0m Traceback (most recent call last)",
+ "Cell \u001b[0;32mIn[1], line 3\u001b[0m\n\u001b[1;32m 1\u001b[0m \u001b[38;5;28;01mimport\u001b[39;00m \u001b[38;5;21;01mnumpy\u001b[39;00m \u001b[38;5;28;01mas\u001b[39;00m \u001b[38;5;21;01mnp\u001b[39;00m\n\u001b[1;32m 2\u001b[0m \u001b[38;5;28;01mimport\u001b[39;00m \u001b[38;5;21;01mmatplotlib\u001b[39;00m\u001b[38;5;21;01m.\u001b[39;00m\u001b[38;5;21;01mpyplot\u001b[39;00m \u001b[38;5;28;01mas\u001b[39;00m \u001b[38;5;21;01mplt\u001b[39;00m\n\u001b[0;32m----> 3\u001b[0m \u001b[38;5;28;01mfrom\u001b[39;00m \u001b[38;5;21;01mcodes\u001b[39;00m \u001b[38;5;28;01mimport\u001b[39;00m utils, model, interface, solvers\n\u001b[1;32m 4\u001b[0m \u001b[38;5;28;01mfrom\u001b[39;00m \u001b[38;5;21;01mtqdm\u001b[39;00m \u001b[38;5;28;01mimport\u001b[39;00m tqdm\n",
+ "\u001b[0;31mImportError\u001b[0m: cannot import name 'utils' from 'codes' (/Users/rzijderveld/kwant-scf/examples/codes/__init__.py)"
+ ]
+ }
+ ],
"source": [
"import numpy as np\n",
"import matplotlib.pyplot as plt\n",
@@ -70,8 +90,10 @@
"source": [
"# Set number of k-points\n",
"nk = 100\n",
+ "# model2hk is dead, use tb2khamvector instead\n",
"hk = utils.model2hk(h_0=h_0)\n",
"# Compute Hamiltonian on the corresponding k-point grid\n",
+ "#kgrid_hamiltonian is deprecated, use kfunc2kham instead\n",
"hamiltonians_0, ks = utils.kgrid_hamiltonian(nk=nk, hk=hk, dim=1, return_ks=True)\n",
"# Perform diagonalization\n",
"vals, vecs = np.linalg.eigh(hamiltonians_0)\n",
@@ -111,6 +133,8 @@
" optimizer_kwargs={'M':0, 'w0':0.1}\n",
" )\n",
" # Generate Hamiltonian on a denser k-point grid\n",
+ " #kgrid_hamiltonian is deprecated, use kfunc2kham instead\n",
+ " #model2hk is dead use tb2khamvector instead\n",
" mf_k = utils.kgrid_hamiltonian(\n",
" nk=nk_dense, hk=utils.model2hk(h_0=mf_model), dim=model.dim\n",
" )\n",
diff --git a/examples/tEnergyTest.ipynb b/examples/tEnergyTest.ipynb
index 7e9a642..6cf315b 100644
--- a/examples/tEnergyTest.ipynb
+++ b/examples/tEnergyTest.ipynb
@@ -44,6 +44,8 @@
"metadata": {},
"outputs": [],
"source": [
+ "#kgrid_hamiltonian is deprecated, use kfunc2kham instead\n",
+ "#model2hk is dead, use tb2khamvector instead\n",
"hamiltonians_0 = utils.kgrid_hamiltonian(\n",
" nk=nk, hk=utils.model2hk(h_0=h_0), dim=1\n",
")\n",
--
GitLab