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updates from master to deal with super heavy elements #988

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merged 26 commits into from
Aug 8, 2024

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@edoapra edoapra commented Aug 8, 2024

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jeffhammond and others added 26 commits August 7, 2024 18:12
Signed-off-by: Jeff Hammond <[email protected]>
Signed-off-by: Jeff Hammond <[email protected]>
Signed-off-by: Jeff Hammond <[email protected]>
Signed-off-by: Jeff Hammond <[email protected]>
Signed-off-by: Jeff Hammond <[email protected]>
Signed-off-by: Jeff Hammond <[email protected]>
Signed-off-by: Jeff Hammond <[email protected]>
there were 4 copies of these in geom.F.  this eliminates code duplication.

there are now 118 elements instead of 112.  i stopped at 118 because 119 and higher do not have 2 character names and thus require more significant refactoring to support.

Signed-off-by: Jeff Hammond <[email protected]>
somehow, adding celements to geomP.fh created duplicate symbols in the object files.

Signed-off-by: Jeff Hammond <[email protected]>
Signed-off-by: Jeff Hammond <[email protected]>
since these have 3-character symbols, we add a 3-character symbol array
(similar to the 1-character array special cases) and check that after
the full element name and before the 2-character symbol check.

we add the first 2 characters of the symbol name to the array of those,
which is theoretically unsafe in the event that these are non-unique,
but this won't be a problem as long as we check the full name, then
the 3 char, then the 2 char.

Signed-off-by: Jeff Hammond <[email protected]>
@edoapra edoapra merged commit 70170be into nwchemgit:hotfix/release-7-2-0 Aug 8, 2024
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2 participants