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hjkgrp
pyEF
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Merge pull request #128 from hjkgrp/updateReadMe
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#106:
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README: simplify the ESP profile section; fix the getEfield, stabiliz…
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Fix typos in README for clarity
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Update README with citation and usage details
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Merge pull request #127 from hjkgrp/espProfile
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Merge pull request #126 from hjkgrp/ESPdecomp
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Added explicity residue-wise efield and ESP decomposibility
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Merge pull request #125 from hjkgrp/normalModeProjection
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Add vector E-field projection and supporting point E-field helpers
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Merge pull request #124 from hjkgrp/normalModeProjection
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Add getEfieldsNormalMode: fchk parsing, Kabsch alignment, normal mode…
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Merge pull request #123 from hjkgrp/updateRTD
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Added new pdb only mode where pdb files with a charge encoded in the …
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Merge pull request #122 from hjkgrp/updateRTD
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updated readthedocs
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Merge pull request #121 from hjkgrp/newreadthedocs
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fixed string error with pyef version
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Merge pull request #120 from hjkgrp/fixrtd
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Fix shell quoting in RTD verification command
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Merge pull request #119 from hjkgrp/fixrtd
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