Minor changes in comments

aromanro · Apr 5, 2020 · 123dc6c · 123dc6c
1 parent 6cf0c14
commit 123dc6c
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Showing 2 changed files with 6 additions and 6 deletions.
diff --git a/Car-Parrinello.ipynb b/Car-Parrinello.ipynb
@@ -367,7 +367,7 @@
  {
  "data": {
  "text/plain": [
- "[<matplotlib.lines.Line2D at 0x204deae4b08>]"
+ "[<matplotlib.lines.Line2D at 0x28242763b88>]"
  ]
  },
  "execution_count": 17,
@@ -500,7 +500,7 @@
  "metadata": {},
  "outputs": [],
  "source": [
- "# 9.47 - there is some renaming to have the same names as in TwoElectronTwoCenterDeriv\n",
+ "# 9.47 - there is some renaming to have the same names as in TwoElectronTwoCenter\n",
  "def TwoElectronTwoCenterDeriv(alpha, beta, gamma, delta, Ra, Rb, Rc, Rd, X): \n",
  " RP = Rp(alpha, gamma, Ra, Rc) # 9.38\n",
  " RQ = Rp(beta, delta, Rb, Rd) # 9.45 \n",
@@ -574,7 +574,7 @@
  "\n",
  "numPoints = 43\n",
  "\n",
- "Nucleardt = numPoints * dt # 4.2 (atomic units)\n",
+ "Nucleardt = numPoints * dt # 4.3 (atomic units)\n",
  "Nucleardt2 = Nucleardt * Nucleardt\n",
  "\n",
  "numNuclearPoints = 300\n",
@@ -781,7 +781,7 @@
  {
  "data": {
  "text/plain": [
- "[<matplotlib.lines.Line2D at 0x204deb97c48>]"
+ "[<matplotlib.lines.Line2D at 0x28242811708>]"
  ]
  },
  "execution_count": 27,

diff --git a/Car-Parrinello.py b/Car-Parrinello.py
@@ -375,7 +375,7 @@ def NuclearDeriv(alpha, beta, Ra, Rb, X, Z = 1.):
 # In[23]:
 
 
-# 9.47 - there is some renaming to have the same names as in TwoElectronTwoCenterDeriv
+# 9.47 - there is some renaming to have the same names as in TwoElectronTwoCenter
 def TwoElectronTwoCenterDeriv(alpha, beta, gamma, delta, Ra, Rb, Rc, Rd, X): 
  RP = Rp(alpha, gamma, Ra, Rc) # 9.38
  RQ = Rp(beta, delta, Rb, Rd) # 9.45 
@@ -438,7 +438,7 @@ def TwoElectronTwoCenterDeriv(alpha, beta, gamma, delta, Ra, Rb, Rc, Rd, X):
 
 numPoints = 43
 
-Nucleardt = numPoints * dt # 4.2 (atomic units)
+Nucleardt = numPoints * dt # 4.3 (atomic units)
 Nucleardt2 = Nucleardt * Nucleardt
 
 numNuclearPoints = 300