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Rev. 日時 作者
ad155ca 2010-12-11 17:23:01 Mikiya Fujii

typo

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@21 1136aad2-a195-0410-b898-f5ea1d11b9d8
b60460d 2010-12-11 16:56:59 Mikiya Fujii

typo

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@20 1136aad2-a195-0410-b898-f5ea1d11b9d8
278275a 2010-12-09 12:43:18 Mikiya Fujii

README.txt is added.

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@19 1136aad2-a195-0410-b898-f5ea1d11b9d8
c5ef493 2010-12-09 12:38:53 Mikiya Fujii

Core and Exchnge integral for INDO and ZINDO are moved from Atom class to INDO and ZINDOS class, respectively.

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@18 1136aad2-a195-0410-b898-f5ea1d11b9d8
6ec22e8 2010-12-08 22:39:48 Mikiya Fujii

References for ZINDOS are parcially aded.

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@17 1136aad2-a195-0410-b898-f5ea1d11b9d8
daa960e 2010-12-08 22:38:52 Mikiya Fujii

comment is added.

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@16 1136aad2-a195-0410-b898-f5ea1d11b9d8
5d7e889 2010-12-08 22:32:05 Mikiya Fujii

Logic of core integrals for ZINDO is added.

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@15 1136aad2-a195-0410-b898-f5ea1d11b9d8
d26cc3b 2010-12-08 17:16:30 Mikiya Fujii

Modification for zindo is carried out.

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@14 1136aad2-a195-0410-b898-f5ea1d11b9d8
46d92a1 2010-12-08 16:52:35 Mikiya Fujii

theory type is added.

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@13 1136aad2-a195-0410-b898-f5ea1d11b9d8
8b77843 2010-12-08 16:00:43 Mikiya Fujii

zindo directroy is added.

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@12 1136aad2-a195-0410-b898-f5ea1d11b9d8
76ec3a8 2010-11-29 12:30:17 Mikiya Fujii

Effective nuclear charge for 3d is created.

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@11 1136aad2-a195-0410-b898-f5ea1d11b9d8
11b00c7 2010-11-29 09:58:32 Mikiya Fujii

Method for checking number of valence electrons is created.

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@10 1136aad2-a195-0410-b898-f5ea1d11b9d8
e886bf6 2010-11-28 12:27:54 Mikiya Fujii

Enable atoms for cndo2 and indo are checked.

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@9 1136aad2-a195-0410-b898-f5ea1d11b9d8
87da00b 2010-11-28 11:23:12 Mikiya Fujii

Refferences for CNDO and INDO are specified.

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@8 1136aad2-a195-0410-b898-f5ea1d11b9d8
1531b73 2010-11-28 11:17:35 Mikiya Fujii

refferences are added. Some modification for Sulfer is also added.

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@7 1136aad2-a195-0410-b898-f5ea1d11b9d8
b97c2db 2010-11-24 21:00:09 Mikiya Fujii

sulfur is added. Unused code is deleted.

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@6 1136aad2-a195-0410-b898-f5ea1d11b9d8
50d79a3 2010-11-22 20:18:05 Mikiya Fujii

sample input is modified.

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@5 1136aad2-a195-0410-b898-f5ea1d11b9d8
6c47a16 2010-11-22 20:02:04 Mikiya Fujii

test2

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@4 1136aad2-a195-0410-b898-f5ea1d11b9d8
40c6e25 2010-11-22 19:45:06 Mikiya Fujii

test

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@3 1136aad2-a195-0410-b898-f5ea1d11b9d8
3a2486e 2010-11-22 19:43:36 Mikiya Fujii

svn propset -R svn:ignore '*.out' .

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@2 1136aad2-a195-0410-b898-f5ea1d11b9d8
947d5cf 2010-11-22 19:36:10 Mikiya Fujii

importing MolDS project

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@1 1136aad2-a195-0410-b898-f5ea1d11b9d8