QMCPACK / QMCPACK/qmcpack

Open boundary conditions spindensity estimator crashes

Open
#2,620 3 comments 0 reactions 0 assignees View on GitHub
bug enhancement observables
Dominant language
C++
Stars
403
Forks
154
Avg merge
1d 13h
Merged PRs (30d)
90

Description

**Describe the bug**
https://cdash.qmcpack.org/CDash/testDetails.php?test=9252705&build=132150

This test fails stating that the estimator is not yet implemented. Can we implement it simply, or should the test be modified?
I am asking this question in the spirit of getting the nightlies to "green" on cdash.

**To Reproduce**

ctest -R short-LiH_dimer_pp-vmc_hf_sdj_estimator_spindensity

**Expected behavior**
Test passes

**System:**
nitrogen and sulfur.

**Additional context**

Contributor guide

Open the contributing guide

Research direction

Start by running ctest -R short-LiH_dimer_pp-vmc_hf_sdj_estimator_spindensity and inspect the linked CDash failure. Determine whether the missing spindensity estimator should be implemented or the test changed; done means the test passes and the chosen resolution is documented.

Written by the indexing model from the issue text.

Assessment

Tech stack
cpp
Domain
hpc, testing-qa
Issue type
Bug
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
25/100

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