Ye Luo
Still failing and `f1m` still differ as it was.
I like this direction. Some cleanup is definitely needed. We need to define a the continuation file serves. 1) run more statistics. 2) continue running qmcpack by rerunning the incomplete...
When directly continued into DMC run ``` SimpleFixedNodeBranch::checkParameters Average Energy of a population = nan Energy Variance = nan ``` this caused crazy weight/population. There is no such problem in...
A quick workaround is setting `energyUpdateInterval=0` in the DMC section of the restart run. But still, it is recommended to move to batched drivers. There are recent fixes #4482 #4484...
Since it is a specific flavor of SR, could you make the enum and option name more specific?
Test this please
I guess you have input files for both cases. Could you provide them? So we can reproduce the exact issue.
In the `$ diff TEST_cuspcorr*/cusp.in.xml`, both the above and below styles are supported. The above one first puts 4 H and then 2 C and it mismatches your `orbs.h5`. The...
It doesn't seem the case that `E_0 = H(0,0)` but `E_0 = (H * Inv)[0,0]` where inv is the inverse of overlap matrix.