Hello everyone!
I run DMol3 jobs remotely. However, I am wondering if we can have a *.input file containing the keyword "Use_diis_restart off" using Materials Studio automatically and not manually.
Your help is really appreciated.
Hello everyone!
I run DMol3 jobs remotely. However, I am wondering if we can have a *.input file containing the keyword "Use_diis_restart off" using Materials Studio automatically and not manually.
Your help is really appreciated.