Update benchmark

sandipgiri576 · Jul 25, 2023 · fa2b22b · fa2b22b
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diff --git a/tests/README.md b/tests/README.md
@@ -23,29 +23,29 @@ on 8 cores.
 ```
 Name      v_imag / cm-1    Time / min     Success
 -------------------------------------------------
-SN2            -481.7         1.7            ✓
-cope           -532.8         9.7            ✓
-DA             -469.2         22.1           ✓
-Hshift         -1825.4        3.4            ✓
-C2N2O          -472.9         2.4            ✓
-cycbut         -711.0         11.9           ✓
-DAcpd          -446.4         8.7            ✓
-ethCF2         -361.3         14.0           ✓
-ene            -933.9         65.4           ✓
-HFloss         -1729.6        37.7           ✓
-oxir           -541.2         8.2            ✓
-Ocope          -502.0         6.7            ✓
-SO2loss        -309.0         129.3          ✓
-aldol          -233.0         24.2           ✓
-dipolar        -426.3         13.4           ✓
+SN2            -501.4         1.8            ✓
+cope           -555.0         9.7            ✓
+DA             -488.8         22.8           ✓
+Hshift         -1901.4        3.6            ✓
+C2N2O          -492.7         2.5            ✓
+cycbut         -740.6         13.7           ✓
+DAcpd          -465.0         8.9            ✓
+ethCF2         -376.6         14.3           ✓
+ene            -972.8         72.8           ✓
+HFloss         -1801.7        43.3           ✓
+oxir           -555.7         9.7            ✓
+Ocope          -522.9         6.6            ✓
+SO2loss        -322.0         117.9          ✓
+aldol          -242.5         30.3           ✓
+dipolar        -444.1         13.1           ✓
 ```
 
 #### SM (small metal)
 ```
 Name      v_imag / cm-1    Time / min     Success
 -------------------------------------------------
-hydroform1     -418.6         32.6           ✓
-MnInsert       -281.7         87.7           ✓
-grubbs         -103.8         147.3          ✓
-vaskas         -89.6          93.2           ✓
+hydroform1     -436.1         27.5           ✓
+MnInsert       -293.3         71.9           ✓
+grubbs         -107.8         122.2          ✓
+vaskas         -93.3          87.1           ✓
 ```
diff --git a/tests/benchmark.py b/tests/benchmark.py
@@ -138,6 +138,30 @@ def add_xyz_rxns_from_file(filename):
 
 
 """
+===============================================================================
+1.4.0
+
+hydroform1     -436.1         27.5           ✓
+MnInsert       -293.3         71.9           ✓
+grubbs         -107.8         122.2          ✓
+vaskas         -93.3          87.1           ✓
+
+SN2            -501.4         1.8            ✓
+cope           -555.0         9.7            ✓
+DA             -488.8         22.8           ✓
+Hshift         -1901.4        3.6            ✓
+C2N2O          -492.7         2.5            ✓
+cycbut         -740.6         13.7           ✓
+DAcpd          -465.0         8.9            ✓
+ethCF2         -376.6         14.3           ✓
+ene            -972.8         72.8           ✓
+HFloss         -1801.7        43.3           ✓
+oxir           -555.7         9.7            ✓
+Ocope          -522.9         6.6            ✓
+SO2loss        -322.0         117.9          ✓
+aldol          -242.5         30.3           ✓
+dipolar        -444.1         13.1           ✓
+
 ===============================================================================
 1.3.0