Fix MSD when there is only 1 det in a given spin channel. #4640
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ye-luo
commented
Jun 22, 2023
| size_t det_id = det_offset + count; | ||
| ValueType ratios_local; | ||
| ///Initialization here to avoid one additional transfer and allow the use of collapse(2) | ||
| ratios_list_ptr[iw][0] = det0_list_ptr[iw]; |
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This was the bug and my original comment explains part of the cause.
mw_updateRatios<EXT_LEVEL> is only called when there is excitation.
Simply move the assignment out.
|
Test this please |
markdewing
approved these changes
Jun 22, 2023
Merged
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Proposed changes
Fixes #4639
What type(s) of changes does this code introduce?
Does this introduce a breaking change?
What systems has this change been tested on?
laptop
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