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Support load/save of NBO info
[molby/Molby.git]
/
Scripts
/ crystal.rb
2022-10-10
Toshi Nagata
call_subprocess now accepts an array of arguments,...
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commitdiff
2022-09-18
Toshi Nagata
API of open_auxiliary_window is changed, so that they...
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commitdiff
2021-12-25
Toshi Nagata
ORTEP silently fails with non positive-definite B....
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commitdiff
2019-08-16
toshinagata1964
Ruby document is updated.
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commitdiff
2014-06-19
toshinagata1964
Show MO Surface dialog is implemented.
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commitdiff
2014-04-25
toshinagata1964
Setting the 'Scratch' directory is sorted out.
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commitdiff
2014-04-11
toshinagata1964
Symmetry Operations dialog was not working for setting...
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commitdiff
2014-04-03
toshinagata1964
sqrt out-of-range error is now avoided in docking a...
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commitdiff
2014-03-28
toshinagata1964
Xtal: bonds and angles dialog had wrong description...
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commitdiff
2014-03-27
toshinagata1964
Embedded Ruby: problems with encoding is being fixed...
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commitdiff
2014-03-23
toshinagata1964
Commands in the Xtal menus are improved and documented.
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commitdiff
2014-03-22
toshinagata1964
Some of the Xtal-related functions are improved.
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commitdiff
2014-03-20
toshinagata1964
Space group table look all right. Export Graphics is...
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commitdiff
2014-03-19
toshinagata1964
Space group table is being updated (still has problems)
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commitdiff
2014-03-18
toshinagata1964
Unit Cell dialog (seems to be working)
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commitdiff
2014-03-18
toshinagata1964
Unit Cell dialog is being modified. Still not working...
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commitdiff
2014-03-18
toshinagata1964
Define Symmetry dialog is being implemented (not done...
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commitdiff
2014-03-16
toshinagata1964
'Show' menu is renamed to 'View'. 'Show...' menus are...
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commitdiff
2014-03-15
toshinagata1964
Script menu handling is improved
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commitdiff
2014-03-14
toshinagata1964
Clean up crystal.rb (remove debug code etc.)
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commitdiff
2014-03-13
toshinagata1964
Best-fit plane dialog is slightly modified
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commitdiff
2014-03-13
toshinagata1964
Exporting ORTEP drawing to TIFF is supported
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commitdiff
2014-03-12
toshinagata1964
Draw ORTEP dialog: export to eps and png are implemented.
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commitdiff
2014-03-12
toshinagata1964
Show ORTEP dialog is being implemented (continued,...
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commitdiff
2014-03-11
toshinagata1964
Show ORTEP dialog is being implemented (not yet complete)
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commitdiff
2014-03-10
toshinagata1964
'show ortep' command is being implemented (not complete...
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commitdiff
2014-03-01
toshinagata1964
Create packing diagram can be invoked only if unit...
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commitdiff
2014-03-01
toshinagata1964
Create packing diagram is improved so that the expansio...
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commitdiff
2014-02-27
toshinagata1964
Create crystal packing is implemented
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commitdiff
2014-02-16
toshinagata1964
Complete by symmetry is implemented
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commitdiff
2014-01-14
toshinagata1964
Change GUI toolkit from wxWidgets 2.8.9 to wxWidgets...
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commitdiff
2013-11-16
toshinagata1964
Best fit planes dialog is modified again; the dialog...
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commitdiff
2013-11-16
toshinagata1964
Bond/Angle with Sigma dialog is overhauled (now working).
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commitdiff
2013-11-15
toshinagata1964
Bond/Angle with Sigma dialog is being overhauled. ...
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commitdiff
2013-11-15
toshinagata1964
Best-fit plane dialog is now modeless, which allows...
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commitdiff
2013-02-24
toshinagata1964
Calculation of bonds and angles with standard deviation...
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commitdiff
2012-11-11
toshinagata1964
Particle Mesh Ewald is being implemented (still not...
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commitdiff
2012-10-13
toshinagata1964
Document is updated, and an appendix describing the...
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commitdiff
2012-10-03
toshinagata1964
ORTEP export did not generate the same orientation...
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commitdiff
2012-07-25
toshinagata1964
Handling of selection from Ruby script was partially...
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commitdiff
2012-07-24
toshinagata1964
Best fit plane dialog was behaving strangely Fixed.
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commitdiff
2012-07-24
toshinagata1964
Export ORTEP (improved) and best-fit plane calculations...
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commitdiff