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Releases: Ionizing/rsgrad

0.4.14

08 Jul 18:39
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[workfunc] Bugfix on ncl version LOCPOT, see #8 .
[workfunc] Bugfix on incorrect axis length, see #9 .
[pot] Bugfix on reading config file failure, see #11 .

Full Changelog: 0.4.13...0.4.14

0.4.13_fix

17 May 10:53
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  • clap: fix issues related to value_parser.

Full Changelog: 0.4.13...0.4.13_fix

0.4.13

08 May 13:08
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  • wav3d: Fix bug on argument dependency related to charge summation.
  • Add target aarch64-apple-darwin for pre-built artifact.

Full Changelog: 0.4.12...0.4.13

0.4.12

08 May 10:24
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  • wav3d: Add charge density summation of selected bands.

Full Changelog: 0.4.11...0.4.12

0.4.11

09 Apr 15:38
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Update clap dependency from v3 to v4.

Full Changelog: 0.4.10...0.4.11

0.4.10_fix

28 Mar 03:01
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  • Fix shuffled order introduced by par_bridge in tdm subcommand.

Full Changelog: 0.4.10...0.4.10_fix

0.4.10

27 Mar 06:34
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Add xmin, xmax and npoints option to tdm (transition dipole moment) command.

Full Changelog: 0.4.9...0.4.10

0.4.9

26 Mar 14:43
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Make calculation of transition dipole moment (TDM) paralleled.

Full Changelog: 0.4.8...0.4.9

0.4.8

10 Nov 12:44
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Make rsgrad tdm use local plotly library.

Full Changelog: 0.4.7...0.4.8

0.4.7

20 Oct 16:42
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  • Add aliases field in .rsgrad.toml

Full Changelog: 0.4.6...0.4.7