git.osdn.net Git - molby/Molby.git/log

toshinagata1964 [Fri, 28 Mar 2014 06:45:19 +0000 (06:45 +0000)]

Document is updated; the Japanese version of GPL text is now in html format.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@519 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Fri, 28 Mar 2014 05:44:00 +0000 (05:44 +0000)]

Ruby: $error_history global variable is introduced, which retains the error messages on script execution.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@518 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Fri, 28 Mar 2014 05:26:44 +0000 (05:26 +0000)]

Handling of string encoding in Ruby scripts is improved.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@517 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Fri, 28 Mar 2014 05:25:57 +0000 (05:25 +0000)]

Xtal: bonds and angles dialog had wrong description of the symmetry operations.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@516 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Fri, 28 Mar 2014 01:27:23 +0000 (01:27 +0000)]

Ruby errinfo should be cleared before beginning new evalutation

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@515 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Fri, 28 Mar 2014 01:26:56 +0000 (01:26 +0000)]

History invocation in Molby Console may crash when nil is the result

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@514 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Thu, 27 Mar 2014 01:10:17 +0000 (01:10 +0000)]

Embedded Ruby: problems with encoding is being fixed (not complete yet?)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@513 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Wed, 26 Mar 2014 02:36:22 +0000 (02:36 +0000)]

Clean up some of the sources

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@512 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Wed, 26 Mar 2014 02:33:45 +0000 (02:33 +0000)]

Undo action for the 'create_bond' action was incorrect, causing crash.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@511 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Wed, 26 Mar 2014 00:01:22 +0000 (00:01 +0000)]

Document: the Japanese version of the Steps 8 and 10 are completed.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@510 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Tue, 25 Mar 2014 15:25:22 +0000 (15:25 +0000)]

Document: the Japanese version of the Steps 8 and 10 are being written.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@509 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Tue, 25 Mar 2014 11:10:53 +0000 (11:10 +0000)]

A couple of bugfix in the Document. The version number is set to 1.0b1.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@508 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Tue, 25 Mar 2014 00:51:21 +0000 (00:51 +0000)]

Table view on Mac sometimes crashes. Hopefully fixed (I am not sure)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@507 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Tue, 25 Mar 2014 00:09:17 +0000 (00:09 +0000)]

Document figures in Step 11 are updated

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@506 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Mon, 24 Mar 2014 23:51:25 +0000 (23:51 +0000)]

Document figures in Step 9 are updated.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@505 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Mon, 24 Mar 2014 16:59:49 +0000 (16:59 +0000)]

Document figures in Step 7 are updated.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@504 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Mon, 24 Mar 2014 16:33:58 +0000 (16:33 +0000)]

Document figures for Step 6 are updated

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@503 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Mon, 24 Mar 2014 16:04:58 +0000 (16:04 +0000)]

Document figures in Step 5 are updated

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@502 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Mon, 24 Mar 2014 14:41:34 +0000 (14:41 +0000)]

Document figures for part 3 and 4 are updated

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@501 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Mon, 24 Mar 2014 11:43:44 +0000 (11:43 +0000)]

Document: figures in Step Two are updated

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@500 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Mon, 24 Mar 2014 11:10:24 +0000 (11:10 +0000)]

Document: figures in Step One are updated

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@499 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Mon, 24 Mar 2014 10:49:54 +0000 (10:49 +0000)]

Document is being updated.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@498 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Mon, 24 Mar 2014 10:49:29 +0000 (10:49 +0000)]

VdW exclusion regarding pi-anchors is slightly changed.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@497 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Mon, 24 Mar 2014 09:57:26 +0000 (09:57 +0000)]

Guess UFF parameters dialog is improved.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@496 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Mon, 24 Mar 2014 09:56:06 +0000 (09:56 +0000)]

Vdw exclusion failed when pi-anchors were present.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@495 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Mon, 24 Mar 2014 04:36:37 +0000 (04:36 +0000)]

The subprocess handling is (hopefully) improved.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@494 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Sun, 23 Mar 2014 16:37:41 +0000 (16:37 +0000)]

Z matrix import is implemented.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@493 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Sun, 23 Mar 2014 16:37:18 +0000 (16:37 +0000)]

Some coordination motifs are included in the predefined fragments.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@492 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Sun, 23 Mar 2014 16:28:55 +0000 (16:28 +0000)]

Some add/delete operation caused unexpected termination.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@491 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Sun, 23 Mar 2014 14:53:30 +0000 (14:53 +0000)]

Ruby-1.8.7 is now removed from the repository.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@490 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Sun, 23 Mar 2014 14:52:50 +0000 (14:52 +0000)]

Ruby-2.0.0 is now included in the repository.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@489 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Sun, 23 Mar 2014 14:50:30 +0000 (14:50 +0000)]

Commands in the Xtal menus are improved and documented.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@488 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Sun, 23 Mar 2014 14:48:56 +0000 (14:48 +0000)]

mopac6 is no longer bundled.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@487 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Sat, 22 Mar 2014 03:32:04 +0000 (03:32 +0000)]

Some of the Xtal-related functions are improved.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@486 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Fri, 21 Mar 2014 15:27:36 +0000 (15:27 +0000)]

Obsolete codes are removed

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@485 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Fri, 21 Mar 2014 15:27:11 +0000 (15:27 +0000)]

Property table can now show fractional coordinates

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@484 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Fri, 21 Mar 2014 13:32:28 +0000 (13:32 +0000)]

The menu commands in the Script menu were updated.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@483 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Fri, 21 Mar 2014 03:54:13 +0000 (03:54 +0000)]

Export graphics (and print preview) is now working on Windows. (Compiling OpenGL_extensions.c with optimization was causing problem. I do not know why.)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@482 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Thu, 20 Mar 2014 08:27:58 +0000 (08:27 +0000)]

Space group table look all right. Export Graphics is implemented; it is working on Mac, but not yet on Windows.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@481 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Wed, 19 Mar 2014 11:46:00 +0000 (11:46 +0000)]

Space group table is being updated (still has problems)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@480 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Tue, 18 Mar 2014 23:22:23 +0000 (23:22 +0000)]

Unit Cell dialog (seems to be working)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@479 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Tue, 18 Mar 2014 16:19:16 +0000 (16:19 +0000)]

Unit Cell dialog is being modified. Still not working very well.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@478 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Tue, 18 Mar 2014 09:53:42 +0000 (09:53 +0000)]

Define Symmetry dialog is being implemented (not done yet)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@477 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Tue, 18 Mar 2014 00:07:03 +0000 (00:07 +0000)]

On MSW, resizing subwindows in Ruby Dialog sometimes did not work. Fixed.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@476 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Mon, 17 Mar 2014 16:26:16 +0000 (16:26 +0000)]

OpenGL extensions are implemented for Windows

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@475 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Mon, 17 Mar 2014 11:48:57 +0000 (11:48 +0000)]

Printing is implemented (still experimental)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@474 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Mon, 17 Mar 2014 05:18:52 +0000 (05:18 +0000)]

Line/Ball-and-stick/Space-filling modes are implemented

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@473 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Sun, 16 Mar 2014 15:04:43 +0000 (15:04 +0000)]

'Show' menu is renamed to 'View'. 'Show...' menus are now implemented in Ruby.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@472 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Sat, 15 Mar 2014 10:31:07 +0000 (10:31 +0000)]

The source codes are cleaned up

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@471 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Sat, 15 Mar 2014 08:49:14 +0000 (08:49 +0000)]

Menu items are rearranged

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@470 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Sat, 15 Mar 2014 04:43:49 +0000 (04:43 +0000)]

Script menu handling is improved

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@469 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Fri, 14 Mar 2014 10:40:36 +0000 (10:40 +0000)]

Command line version is made buildable again

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@468 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Fri, 14 Mar 2014 10:23:43 +0000 (10:23 +0000)]

The Xcode project settings are modified (to avoid 'different visibility' link errors)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@467 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Fri, 14 Mar 2014 09:44:49 +0000 (09:44 +0000)]

Ruby: Kernel#fw (formula weight) is implemented.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@466 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Fri, 14 Mar 2014 09:44:18 +0000 (09:44 +0000)]

Atomic weights are handled as floats instead of doubles. Fixed.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@465 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Fri, 14 Mar 2014 01:14:10 +0000 (01:14 +0000)]

Clean up crystal.rb (remove debug code etc.)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@464 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Thu, 13 Mar 2014 11:18:34 +0000 (11:18 +0000)]

Best-fit plane dialog is slightly modified

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@463 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Thu, 13 Mar 2014 05:56:37 +0000 (05:56 +0000)]

Exporting ORTEP drawing to TIFF is supported

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@462 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Thu, 13 Mar 2014 05:56:06 +0000 (05:56 +0000)]

Makefile is updated so that MSW version is properly built

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@461 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Thu, 13 Mar 2014 05:54:56 +0000 (05:54 +0000)]

Copyright description in the About dialog is updated.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@460 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Wed, 12 Mar 2014 15:53:03 +0000 (15:53 +0000)]

Draw ORTEP dialog: export to eps and png are implemented.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@459 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Wed, 12 Mar 2014 11:26:06 +0000 (11:26 +0000)]

Show ORTEP dialog is being implemented (continued, not yet complete)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@458 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Wed, 12 Mar 2014 11:25:08 +0000 (11:25 +0000)]

Bitmap drawing is implemented in Molby::Dialog (experimental)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@457 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Tue, 11 Mar 2014 11:22:52 +0000 (11:22 +0000)]

Show ORTEP dialog is being implemented (not yet complete)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@456 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Tue, 11 Mar 2014 11:22:25 +0000 (11:22 +0000)]

MyListCtrl now allows use of popup menus including separator items and disabled items

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@455 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Tue, 11 Mar 2014 08:00:14 +0000 (08:00 +0000)]

Ruby Dialog was causing crash when Dialog#listen was used and the document was closed with the dialog still open. Fixed.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@454 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Tue, 11 Mar 2014 07:16:23 +0000 (07:16 +0000)]

The text edit in MyListCtrl seems weird. Hopefully fixed.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@453 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Tue, 11 Mar 2014 02:31:56 +0000 (02:31 +0000)]

Auto resizing of Ruby Dialog is sometimes strange. Fixed.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@452 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Mon, 10 Mar 2014 11:09:03 +0000 (11:09 +0000)]

'show ortep' command is being implemented (not complete yet)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@451 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Mon, 10 Mar 2014 11:08:22 +0000 (11:08 +0000)]

ORTEP3 is modified so that it does not require input from console

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@450 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Mon, 10 Mar 2014 11:07:50 +0000 (11:07 +0000)]

Ruby Dialog: behavior of the close button is improved (hopefully)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@449 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Mon, 10 Mar 2014 11:07:25 +0000 (11:07 +0000)]

Ruby Dialog: behavior of the close button is improved (hopefully)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@448 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Wed, 5 Mar 2014 03:41:11 +0000 (03:41 +0000)]

ORTEP3 is included in the source tree (with modification)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@447 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Wed, 5 Mar 2014 01:48:50 +0000 (01:48 +0000)]

In 'Guess UFF Parameters' dialog, the button name is changed from 'Guess UFF Parameters for Metal Atoms' to 'Guess UFF Parameters for Bonds and Angles Including Metal Atoms'

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@446 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Tue, 4 Mar 2014 14:05:55 +0000 (14:05 +0000)]

Build on MinGW/Windows now succeeds

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@445 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Sat, 1 Mar 2014 15:03:56 +0000 (15:03 +0000)]

Create packing diagram can be invoked only if unit cell is defined.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@444 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Sat, 1 Mar 2014 10:59:29 +0000 (10:59 +0000)]

Create packing diagram is improved so that the expansion limits can be set from the dialog

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@443 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Thu, 27 Feb 2014 23:08:47 +0000 (23:08 +0000)]

Create crystal packing is implemented

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@442 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Thu, 27 Feb 2014 23:07:20 +0000 (23:07 +0000)]

expand_by_symmetry was causing strange bonds when expanding already expanded atoms. Fixed.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@441 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Sun, 16 Feb 2014 15:10:54 +0000 (15:10 +0000)]

'Create MO Cube' does not work when the molecule has no associated file. Fixed.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@440 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Sun, 16 Feb 2014 14:52:04 +0000 (14:52 +0000)]

'Define Unit Cell' dialog is modified. It now allows to clear the defined unit cell.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@439 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Sun, 16 Feb 2014 14:50:59 +0000 (14:50 +0000)]

$stdout.flush and $stderr.flush are implemented; nothing to do, but required by Kernel.backquote in Ruby 2.0

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@438 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Sun, 16 Feb 2014 08:08:28 +0000 (08:08 +0000)]

'proc' is replaced with 'lambda' for creating a Proc object

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@437 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Sun, 16 Feb 2014 08:07:24 +0000 (08:07 +0000)]

IntGroup#index is implemented

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@436 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Sun, 16 Feb 2014 08:05:56 +0000 (08:05 +0000)]

Complete by symmetry is implemented

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@435 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Sun, 16 Feb 2014 08:04:04 +0000 (08:04 +0000)]

Menu item ID must be positive in wxCocoa

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@434 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Sat, 15 Feb 2014 16:23:14 +0000 (16:23 +0000)]

Ruby: IntGroup#inspect caused crash when the result exceeds 64 bytes. Fixed.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@433 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Sat, 15 Feb 2014 14:51:37 +0000 (14:51 +0000)]

Ruby: Molecule#expand_by_symmetry is modified so that it accepts an optional argument 'allow_overlap'.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@432 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Tue, 4 Feb 2014 07:53:15 +0000 (07:53 +0000)]

Mac: the ruby console does not work well when the Input Method is working. Fixed.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@431 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Tue, 4 Feb 2014 04:40:08 +0000 (04:40 +0000)]

Behavior of Ruby Console is improved.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@430 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Mon, 3 Feb 2014 23:03:02 +0000 (23:03 +0000)]

Embed ruby 2.0 instead of 1.8.7

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@429 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Thu, 30 Jan 2014 22:43:42 +0000 (22:43 +0000)]

The document of Molecule#find_close_atoms is slightly improved.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@428 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Thu, 30 Jan 2014 15:40:04 +0000 (15:40 +0000)]

Ruby: Molecule#find_close_atoms is modified so that it can accept a Vector3D as the first argument. Cleaning up other sources.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@427 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Wed, 15 Jan 2014 16:06:20 +0000 (16:06 +0000)]

Cleanup Makefiles. Molby_command (on Mac) build target is restored.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@426 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Tue, 14 Jan 2014 14:39:41 +0000 (14:39 +0000)]

Change GUI toolkit from wxWidgets 2.8.9 to wxWidgets 3.0.0

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@425 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Tue, 19 Nov 2013 14:49:28 +0000 (14:49 +0000)]

Big change in GUI appearance on MSW; the MDI interface is gone and all windows can now be freely moved around in the screen.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@423 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Tue, 19 Nov 2013 14:36:49 +0000 (14:36 +0000)]

Documents for mopac6 and nbo3.0 are included in the project

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@422 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Sat, 16 Nov 2013 02:29:55 +0000 (02:29 +0000)]

Best fit planes dialog is modified again; the dialog is now specific to individual molecule

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@421 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Sat, 16 Nov 2013 01:30:04 +0000 (01:30 +0000)]

Bond/Angle with Sigma dialog is overhauled (now working).

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@420 a2be9bc6-48de-4e38-9406-05402d4bc13c

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toshinagata1964 [Fri, 15 Nov 2013 11:34:25 +0000 (11:34 +0000)]

Bond/Angle with Sigma dialog is being overhauled. (still in progress)

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@419 a2be9bc6-48de-4e38-9406-05402d4bc13c