qmcpack/labs/lab3_advanced_molecules/exercises/pseudo/H.BFD.gamess

6 lines
118 B
Plaintext

H-QMC GEN 0 0
3
1.000000000000 1 25.000000000000
25.000000000000 3 10.821821902641
-8.228005709676 2 9.368618758833