Skip to content

Commit 9e6e6e1

Browse files
PME in xTB QM/MM (#93)
* truncate real-space in Ewald * better Ewald params * PME in QMMM
1 parent 55349da commit 9e6e6e1

File tree

1 file changed

+586
-170
lines changed

1 file changed

+586
-170
lines changed

0 commit comments

Comments
 (0)