qm_property_calculation / qm_atom_features.csv
t7morgen
figure added
2382dff
raw
history blame contribute delete
479 Bytes
,atom type,Charge,Polarizability
0,6,-0.0318051,8.7986948
1,6,-0.0372131,8.8194373
2,6,0.0180579,8.6176499
3,6,0.0180484,8.6176839
4,6,-0.0371993,8.8193854
5,6,-0.0318169,8.7987388
6,1,0.0309827,2.5081171
7,6,-0.0372016,8.819394
8,6,-0.0371842,8.8193289
9,1,0.0309828,2.5081162
10,1,0.029009,2.5217377
11,1,0.0290073,2.5217494
12,6,-0.0318231,8.7987621
13,6,-0.0318508,8.7988664
14,1,0.0309837,2.5081098
15,1,0.0290121,2.5217165
16,1,0.0309787,2.5081448
17,1,0.0290316,2.5215795