Size: 114
Comment:
|
Size: 190
Comment:
|
Deletions are marked like this. | Additions are marked like this. |
Line 1: | Line 1: |
Ground-state gradients | = Ground-state geometric derivatives = |
Line 3: | Line 3: |
== Ground-state gradients == Input: {{{ |
|
Line 10: | Line 14: |
Ground-state hessians | }}} == Ground-state hessians == |
Ground-state geometric derivatives
Ground-state gradients
Input:
$resp GEOM norder 1 method 1 $end
Ground-state hessians
Not implemented yet.