Sandeep Sharma

Xubo, just wanted to confirm with you that restart is indeed working. At one point I believe that there was an issue. Sandeep. On Fri, Feb 23, 2024 at 12:03...

I would not call (74e,179o) as a moderate-size. Remember that HCI is attempting to an approximate FCI, so the Hilbert space of this problem is very large. With 179 orbital...

Inside Dice everything should be consistent. If you go from dice-HCI to IPIE then i am not sure, or if you go from Arrow to Dice-AFQMC again I am not...

Are you trying to do very large calculations? Maybe you can give Direst and disk options a try. At one point they were working but we have not actively tested...

In Dice we make use of shared memory, so it does not replicate all things on all cores in a node. So this is somewhat close to how things would...

Dear Leopold, Thanks for the suggestion. The website is quite old and contains documentation for mainly HCI. Currently Dice has several other capabilities including AFQMC, GFMC, VMC, DMC, NEVPT2, HCI,...

Hi Jack, Bus errors often happen when you recompile the program, causing the executable on the hard disk to change, while it is being used in a calculation. But if...

Yes it supports RHF, UHF and GHF. I will push an example soon. Sandeep. On Wed, May 24, 2023 at 7:47 AM vvp-nsk ***@***.***> wrote: > Hi! > > I...