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rt_tddft: data corruption when more than 100 geometries are used #1075

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edoapra opened this issue Feb 5, 2025 · 0 comments
Open

rt_tddft: data corruption when more than 100 geometries are used #1075

edoapra opened this issue Feb 5, 2025 · 0 comments
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@edoapra
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edoapra commented Feb 5, 2025

Describe the bug
When more than 100 geometries are defined in input, the params structure is corrupted in rt_tddft_init_geoms() since the value
of ngeoms_rtdb is not checked against rt_max_geoms (out of rt_tddft.fh)

To Reproduce
Reproducer posted in https://groups.google.com/g/nwchem-forum/c/RqFHqW289A0
@edoapra edoapra added the bug label Feb 5, 2025
edoapra added a commit to edoapra/nwchem that referenced this issue Feb 5, 2025
@edoapra
bug fix for data corruption nwchemgit#1075
12285cf
edoapra added a commit to edoapra/nwchem that referenced this issue Feb 5, 2025
@edoapra
bug fix for data corruption nwchemgit#1075
253ba23
@edoapra edoapra mentioned this issue Feb 5, 2025
Merged
edoapra added a commit to edoapra/nwchem that referenced this issue Feb 5, 2025
@edoapra
bug fix for data corruption nwchemgit#1075
b6032c6
@edoapra edoapra mentioned this issue Feb 5, 2025
Merged
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@edoapra