Update example output files

cmsi · Aug 12, 2021 · 8b2c171 · 8b2c171
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commit 8b2c171
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diff --git a/example/b3lyp-energy-npa.out b/example/b3lyp-energy-npa.out
@@ -5,7 +5,7 @@
  written by K. ISHIMURA
  *******************************************
 
- The job started at Sun Aug  1 23:55:28 2021
+ The job started at Thu Aug 12 14:03:43 2021
  Master node is smash.jp
  Number of processes = 2
  Number of threads = 12
@@ -251,7 +251,7 @@
  setenv OMP_STACKSIZE 1G
 
  Step CPU : 0.6, Total CPU : 0.6 of Master process
- Step Wall : 0.1, Total Wall : 0.1 at Sun Aug  1 23:55:28 2021
+ Step Wall : 0.1, Total Wall : 0.1 at Thu Aug 12 14:03:43 2021
 
  ==========================================================================
  Restricted Hartree-Fock calculation for guess orbitals of DFT
@@ -269,8 +269,8 @@
  SCF Converged.
  --------------------
 
- Step CPU : 31.0, Total CPU : 31.6 of Master process
- Step Wall : 2.6, Total Wall : 2.6 at Sun Aug  1 23:55:31 2021
+ Step CPU : 31.8, Total CPU : 32.4 of Master process
+ Step Wall : 2.7, Total Wall : 2.7 at Thu Aug 12 14:03:45 2021
 
  ==========================================================================
  Restricted DFT calculation
@@ -1581,8 +1581,8 @@
  299 26 H Py -0.002831 -0.000606 0.001703 0.003888 0.000848
  300 26 H Pz 0.000071 0.001162 -0.000090 -0.000568 0.002605
 
- Step CPU : 133.4, Total CPU : 165.0 of Master process
- Step Wall : 11.1, Total Wall : 13.8 at Sun Aug  1 23:55:42 2021
+ Step CPU : 133.5, Total CPU : 165.9 of Master process
+ Step Wall : 11.1, Total Wall : 13.8 at Thu Aug 12 14:03:57 2021
 
  ========================
  Property calculation
@@ -1957,7 +1957,7 @@
  25 H 0.253361 0.746639 0.000000 0.743318 0.003320
  26 H 0.263543 0.736457 0.000000 0.730652 0.005804
  ----------------------------------------------------------------------------
- Total -0.000000 144.000000 51.983873 91.527875 0.488252
+ Total  0.000000 144.000000 51.983873 91.527875 0.488252
  ----------------------------------------------------------------------------
 
  ----------------------------------------------
@@ -1967,12 +1967,12 @@
  -0.6505 1.6603 -0.0355 1.7835
  ----------------------------------------------
 
- Step CPU : 0.3, Total CPU : 165.3 of Master process
- Step Wall : 0.0, Total Wall : 13.8 at Sun Aug  1 23:55:42 2021
+ Step CPU : 0.3, Total CPU : 166.2 of Master process
+ Step Wall : 0.0, Total Wall : 13.9 at Thu Aug 12 14:03:57 2021
 
- Total CPU time : 165.3 seconds
- Total Wall time: 13.8 seconds
- ( 0 days 0 hours 0 minutes 13.8 seconds)
- The job finished at Sun Aug  1 23:55:42 2021
+ Total CPU time : 166.3 seconds
+ Total Wall time: 13.9 seconds
+ ( 0 days 0 hours 0 minutes 13.9 seconds)
+ The job finished at Thu Aug 12 14:03:57 2021
  Used memory : 27 MB
  Your calculation finished successfully with 0 warning.
diff --git a/example/b3lyp-energy.out b/example/b3lyp-energy.out
@@ -5,7 +5,7 @@
  written by K. ISHIMURA
  *******************************************
 
- The job started at Sun Aug  1 23:55:14 2021
+ The job started at Thu Aug 12 14:03:57 2021
  Master node is smash.jp
  Number of processes = 2
  Number of threads = 12
@@ -250,7 +250,7 @@
  setenv OMP_STACKSIZE 1G
 
  Step CPU : 0.6, Total CPU : 0.6 of Master process
- Step Wall : 0.1, Total Wall : 0.1 at Sun Aug  1 23:55:14 2021
+ Step Wall : 0.1, Total Wall : 0.1 at Thu Aug 12 14:03:57 2021
 
  ==========================================================================
  Restricted Hartree-Fock calculation for guess orbitals of DFT
@@ -268,8 +268,8 @@
  SCF Converged.
  --------------------
 
- Step CPU : 31.9, Total CPU : 32.5 of Master process
- Step Wall : 2.7, Total Wall : 2.7 at Sun Aug  1 23:55:17 2021
+ Step CPU : 31.0, Total CPU : 31.5 of Master process
+ Step Wall : 2.6, Total Wall : 2.6 at Thu Aug 12 14:03:59 2021
 
  ==========================================================================
  Restricted DFT calculation
@@ -289,7 +289,7 @@
  6 6 -1555.620575299 -0.000134792 0.001536523 0.000393018
  7 7 -1555.620582144 -0.000006845 0.000588847 0.000294479
  8 8 -1555.620585092 -0.000002949 0.000133859 0.000073619
- 9 9 -1555.620585283 -0.000000191 0.000046394 0.000025950
+ 9 9 -1555.620585284 -0.000000191 0.000046394 0.000025950
  10 10 -1555.620585310 -0.000000027 0.000015274 0.000008189
  11 11 -1555.620585313 -0.000000003 0.000008102 0.000004379
  12 12 -1555.620585314 -0.000000001 0.000002318 0.000001459
@@ -1580,8 +1580,8 @@
  299 26 H Py -0.002831 -0.000606 0.001703 0.003888 0.000848
  300 26 H Pz 0.000071 0.001162 -0.000090 -0.000568 0.002605
 
- Step CPU : 133.5, Total CPU : 166.0 of Master process
- Step Wall : 11.1, Total Wall : 13.8 at Sun Aug  1 23:55:28 2021
+ Step CPU : 133.3, Total CPU : 164.8 of Master process
+ Step Wall : 11.1, Total Wall : 13.7 at Thu Aug 12 14:04:10 2021
 
  ========================
  Property calculation
@@ -1627,12 +1627,12 @@
  -0.6505 1.6603 -0.0355 1.7835
  ----------------------------------------------
 
- Step CPU : 0.0, Total CPU : 166.1 of Master process
- Step Wall : 0.0, Total Wall : 13.9 at Sun Aug  1 23:55:28 2021
+ Step CPU : 0.0, Total CPU : 164.8 of Master process
+ Step Wall : 0.0, Total Wall : 13.8 at Thu Aug 12 14:04:10 2021
 
- Total CPU time : 166.1 seconds
- Total Wall time: 13.9 seconds
- ( 0 days 0 hours 0 minutes 13.9 seconds)
- The job finished at Sun Aug  1 23:55:28 2021
+ Total CPU time : 164.9 seconds
+ Total Wall time: 13.8 seconds
+ ( 0 days 0 hours 0 minutes 13.8 seconds)
+ The job finished at Thu Aug 12 14:04:10 2021
  Used memory : 27 MB
  Your calculation finished successfully with 0 warning.
diff --git a/example/b3lyp-high-precision.out b/example/b3lyp-high-precision.out
@@ -5,7 +5,7 @@
  written by K. ISHIMURA
  *******************************************
 
- The job started at Sun Aug  1 23:55:42 2021
+ The job started at Thu Aug 12 14:04:10 2021
  Master node is smash.jp
  Number of processes = 2
  Number of threads = 12
@@ -250,8 +250,8 @@
  unlimit
  setenv OMP_STACKSIZE 1G
 
- Step CPU : 0.5, Total CPU : 0.5 of Master process
- Step Wall : 0.1, Total Wall : 0.1 at Sun Aug  1 23:55:42 2021
+ Step CPU : 0.6, Total CPU : 0.6 of Master process
+ Step Wall : 0.1, Total Wall : 0.1 at Thu Aug 12 14:04:10 2021
 
  ==========================================================================
  Restricted Hartree-Fock calculation for guess orbitals of DFT
@@ -270,7 +270,7 @@
  --------------------
 
  Step CPU : 35.2, Total CPU : 35.8 of Master process
- Step Wall : 2.9, Total Wall : 3.0 at Sun Aug  1 23:55:45 2021
+ Step Wall : 2.9, Total Wall : 3.0 at Thu Aug 12 14:04:13 2021
 
  ==========================================================================
  Restricted DFT calculation
@@ -1581,8 +1581,8 @@
  299 26 H Py -0.002831 -0.000604 0.001703 0.003888 0.000841
  300 26 H Pz 0.000071 0.001161 -0.000089 -0.000567 0.002607
 
- Step CPU : 228.2, Total CPU : 263.9 of Master process
- Step Wall : 19.0, Total Wall : 22.0 at Sun Aug  1 23:56:04 2021
+ Step CPU : 227.0, Total CPU : 262.7 of Master process
+ Step Wall : 18.9, Total Wall : 21.9 at Thu Aug 12 14:04:32 2021
 
  ========================
  Property calculation
@@ -1628,12 +1628,12 @@
  -0.6506 1.6604 -0.0353 1.7836
  ----------------------------------------------
 
- Step CPU : 0.0, Total CPU : 264.0 of Master process
- Step Wall : 0.0, Total Wall : 22.0 at Sun Aug  1 23:56:04 2021
+ Step CPU : 0.0, Total CPU : 262.8 of Master process
+ Step Wall : 0.0, Total Wall : 21.9 at Thu Aug 12 14:04:32 2021
 
- Total CPU time : 264.0 seconds
- Total Wall time: 22.0 seconds
- ( 0 days 0 hours 0 minutes 22.0 seconds)
- The job finished at Sun Aug  1 23:56:04 2021
+ Total CPU time : 262.8 seconds
+ Total Wall time: 21.9 seconds
+ ( 0 days 0 hours 0 minutes 21.9 seconds)
+ The job finished at Thu Aug 12 14:04:32 2021
  Used memory : 40 MB
  Your calculation finished successfully with 0 warning.