mirror of
https://github.com/nwchemgit/nwchem.git
synced 2026-07-29 06:35:39 -04:00
Update development build
This commit is contained in:
parent
34be135035
commit
6edd262e83
2 changed files with 909 additions and 1022 deletions
|
|
@ -126,6 +126,7 @@ dft
|
|||
convergence energy 1.000000E-06
|
||||
convergence density 1.000000E-05
|
||||
convergence gradient 1E-05
|
||||
convergence lshift 0
|
||||
iterations 100
|
||||
mulliken
|
||||
end
|
||||
|
|
|
|||
File diff suppressed because it is too large
Load diff
Loading…
Add table
Add a link
Reference in a new issue