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Replace eigensolver code in LAMMPS with math_eigen.h and updated docs #2347

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merged 31 commits into from
Sep 17, 2020
Merged

Replace eigensolver code in LAMMPS with math_eigen.h and updated docs #2347

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7f6fc8a
updated math_eigen.h and moved it into the main "src" directory
jewettaij Sep 4, 2020
57f82ab
updated all code in LAMMPS to use the open-source "math_eigen.h" inst…
jewettaij Sep 5, 2020
58fa72d
replaced all numerical recipes jacobi() code with code from "math_eig…
jewettaij Sep 5, 2020
4b66414
fixed a type error in math_eigen.h
jewettaij Sep 5, 2020
7cb774e
some corrections before rewriting the doxygen comments to comply with…
jewettaij Sep 5, 2020
4ad6d99
updated documentation files: "pg_developer.rst", "math_eigen.h", and …
jewettaij Sep 6, 2020
c16321e
purged greek characters from "pd_developer.rst"
jewettaij Sep 6, 2020
2ee2009
removed assert() statements from "superpose3d.h"
jewettaij Sep 6, 2020
b295222
changed the "trim_and_count_words()" function declaration in "utils.h…
jewettaij Sep 6, 2020
d97e8d8
fixed linker problems in "utils.h" and "utils.cpp"
jewettaij Sep 6, 2020
eb6f7f9
Merge branch 'master' into math_eigen
jewettaij Sep 6, 2020
fabf762
reverting to previous version of util.h and util.cpp
jewettaij Sep 6, 2020
a57a140
bug fix fix unit tests, improve doc readability, and to prevent accid…
jewettaij Sep 7, 2020
f329d56
updated pg_developer.rst
jewettaij Sep 7, 2020
6ade5dd
changed the default sorting options in "jacobi3()" to be more similar…
jewettaij Sep 9, 2020
56b1300
reverted the default behavior of "jacobi3()". By default it now sort…
jewettaij Sep 9, 2020
2ab0878
remreduced compile time by removing unnecessary instantiations from m…
jewettaij Sep 9, 2020
3bacf97
Merge branch 'master' into math_eigen
jewettaij Sep 9, 2020
ed14793
moved eigensolver documentation into pg_dev_utils.rst
jewettaij Sep 9, 2020
f599869
Merge branch 'master' into math_eigen
akohlmey Sep 16, 2020
48ad860
only do Zstd tests if it is enabled/found.
akohlmey Sep 16, 2020
981d60f
update rigid tests for new eigensolver
akohlmey Sep 16, 2020
f7a939d
update atom_style tester for new jacobi implementation
akohlmey Sep 16, 2020
10991ee
separate the MathEigen implementation into its own header file
akohlmey Sep 16, 2020
fd9e39b
update docs
akohlmey Sep 16, 2020
0931cdd
relax epsilon for rigid body integrators
akohlmey Sep 16, 2020
bd542ef
include math_eigen.h, remove it from .gitignore
akohlmey Sep 16, 2020
942ed3a
update copyright headers to match LAMMPS' conventions
akohlmey Sep 16, 2020
96f4178
add URLs to upstream projects for eigensolvers
akohlmey Sep 16, 2020
a8a9fb6
adapt unit test for Jacobi class
akohlmey Sep 16, 2020
b176cdf
remove trailing whitespace
akohlmey Sep 16, 2020
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separate the MathEigen implementation into its own header file
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@akohlmey
akohlmey committed Sep 16, 2020
commit 10991ee638c587105f94c7acf0354144e7383e32
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