Paul R. C. Kent
Paul R. C. Kent
**Describe the bug** The CSVMC tests e.g. https://cdash.qmcpack.org/CDash/testDetails.php?test=9832855&build=141686 fail with default builds due to the WALKER_MAX_PROPERTIES workaround/problem. This means they are effectively untested since all the nightly/weekly tests use the...
Currently the full precision build does not recompute the Slater determinants (blocks_between_recompute=0). Eventually this must go wrong, making this a dangerous default. We should have a much safer default (blocks_between_recompute=1)....
Per discussion in #1244 , the three-body jastrow should requires ispecies and especies1 and especies2 to be specified. Many existing test inputs have especies which is not read.
Continuation and finalization of #1151
After v.3.6.0, discuss with wider group + update random initialization to a scheme that guarantees different random numbers on each thread.
Per the report in #925 , the weight in the first block of the DMC AoS code is incorrect. This is a definite bug and needs to be fixed in...
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Following the discussion in #4828 , better unit tests are needed for the Jastrow functions that use splines. e.g. Testing just before, at, after the cutoff values. Unit test level...
Given #4763 we need a stronger test or set of tests on the fixed node and fixed phase condition, particularly at the deterministic and unit level. Attempts to introduce a...
**Describe the bug** While checking #4549 I noticed that at some recent point we have reordered the scalar.dat output. The columns are correctly labeled. Unfortunately, when files of different versions...