Added action that allows you to set the masses and charges from a PDB… #2942

Job	Run time
codecheck / codecheck	43m 34s
docker / docker (fedora39)	20m 39s
conda / conda (ubuntu-20.04)	7m 4s
docker / docker (rocky8)	23m 13s
linux / linux (-doc-mpi-)	16m 45s
conda / conda (macos-12)	12m 23s
linux / linux (-mpi-)	14m 34s
conda / conda (macos-14)	5m 30s
mac / macports (macos-12)	16m 21s
linux / linux (-coverage-mpi-)	14m 19s
mac / macports (macos-14)	11m 46s
linux / linux (-debug-)	18m 6s
mac / macsimple (macos-12)	4m 59s
linux / linux (-debug-mpi-)	18m 3s
mac / macports (+allmodules, macos-12)	22m 40s
linux / linux (-intel-)	19m 3s
mac / macsimple (macos-14)	2m 53s
linux / linux (-pycv-mpi-)	15m 35s
	4h 47m 27s

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