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Molby: コミット一覧

Molecular Modeling Software


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Rev. 日時 作者
c834dee 2014-03-04 23:05:55 toshinagata1964

Build on MinGW/Windows now succeeds

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

039f331 2014-03-02 00:03:56 toshinagata1964

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

94ae169 2014-03-01 19:59:29 toshinagata1964

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

ff7e6f1 2014-02-28 08:08:47 toshinagata1964

Create crystal packing is implemented

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

be2a4c3 2014-02-28 08:07:20 toshinagata1964

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

0aa8fdd 2014-02-17 00:10:54 toshinagata1964

'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

f9ba11d 2014-02-16 23:52:04 toshinagata1964

'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

755b86c 2014-02-16 23:50:59 toshinagata1964

$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

83086ed 2014-02-16 17:08:28 toshinagata1964

'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

62633cf 2014-02-16 17:07:24 toshinagata1964

IntGroup#index is implemented

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

8855dea 2014-02-16 17:05:56 toshinagata1964

Complete by symmetry is implemented

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

8561710 2014-02-16 17:04:04 toshinagata1964

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

f3952af 2014-02-16 01:23:14 toshinagata1964

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

fdae12a 2014-02-15 23:51:37 toshinagata1964

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

0c7d85b 2014-02-04 16:53:15 toshinagata1964

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

6b08eda 2014-02-04 13:40:08 toshinagata1964

Behavior of Ruby Console is improved.

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

08292b1 2014-02-04 08:03:02 toshinagata1964

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

38a485c 2014-01-31 07:43:42 toshinagata1964

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

eeb7259 2014-01-31 00:40:04 toshinagata1964

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

a678572 2014-01-16 01:06:20 toshinagata1964

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

07f84a8 2014-01-14 23:39:41 toshinagata1964

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

9112163 2013-11-19 23:49:28 toshinagata1964

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

c0044ff 2013-11-19 23:36:49 toshinagata1964

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

1c06e97 2013-11-16 11:29:55 toshinagata1964

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

f601934 2013-11-16 10:30:04 toshinagata1964

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

8544646 2013-11-15 20:34:25 toshinagata1964

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

dc29ee2 2013-11-15 13:49:32 toshinagata1964

Best-fit plane dialog is now modeless, which allows going to the model window back and forth.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@418 a2be9bc6-48de-4e38-9406-05402d4bc13c

e25785c 2013-11-15 11:45:35 toshinagata1964

Minimizing structure including pi-anchor atoms was not working correctly. Fixed.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@417 a2be9bc6-48de-4e38-9406-05402d4bc13c

f4f5b2c 2013-11-14 15:13:01 toshinagata1964

Handling of pi-anchor atoms is slightly modified

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@416 a2be9bc6-48de-4e38-9406-05402d4bc13c

9efeba2 2013-11-13 21:55:06 toshinagata1964

In cif import, the parentheses in the atom names will be dropped

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@415 a2be9bc6-48de-4e38-9406-05402d4bc13c

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