Updated Exited States Tutorial

tequilahub · Oct 25, 2024 · 3820b45 · 3820b45
1 parent be974d7
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Showing 4 changed files with 77 additions and 69 deletions.
diff --git a/Researches/Eigensolver/Eigensolver.ipynb b/Researches/Eigensolver/Eigensolver.ipynb
diff --git a/Researches/Eigensolver/h4_sto-3g.hdf5 b/Researches/Eigensolver/h4_sto-3g.hdf5
diff --git a/Researches/Eigensolver/h4_sto-3g_hf.out b/Researches/Eigensolver/h4_sto-3g_hf.out
@@ -8,7 +8,7 @@ Scratch directory: /tmp/
     Solid Harmonics ordering:            Gaussian
 
 *** tstart() called on Laptop-von-Elisabeth.local
-*** at Fri Oct 18 16:47:14 2024
+*** at Fri Oct 25 17:18:06 2024
 
    => Loading Basis Set <=
 
@@ -190,12 +190,12 @@ Properties computed using the SCF density matrix
 
  ------------------------------------------------------------------------------------
 
-*** tstop() called on Laptop-von-Elisabeth.local at Fri Oct 18 16:47:14 2024
+*** tstop() called on Laptop-von-Elisabeth.local at Fri Oct 25 17:18:06 2024
 Module time:
 	user time   =       0.12 seconds =       0.00 minutes
 	system time =       0.00 seconds =       0.00 minutes
 	total time  =          0 seconds =       0.00 minutes
 Total time:
-	user time   =       0.69 seconds =       0.01 minutes
-	system time =       0.02 seconds =       0.00 minutes
-	total time  =          1 seconds =       0.02 minutes
+	user time   =       0.80 seconds =       0.01 minutes
+	system time =       0.01 seconds =       0.00 minutes
+	total time  =          0 seconds =       0.00 minutes
diff --git a/Researches/Eigensolver/psi.84822.clean b/Researches/Eigensolver/psi.84822.clean
@@ -0,0 +1 @@
+/tmp/psi.84822.35