OSDN -- 开发和下载开源软件
简体中文翻译状态 translation status for zh
  • R/O
  • HTTP
  • SSH
  • HTTPS
Fork

提交列表

标签
No Tags

Frequently used words (click to add to your profile)

javac++androidlinuxc#windowsobjective-ccocoa誰得qtpythonphprubygameguibathyscaphec計画中(planning stage)翻訳omegatframeworktwitterdomtestvb.netdirectxゲームエンジンbtronarduinopreviewer

All branches
RSS
Rev. 时间 作者
62726df 2011-10-20 01:30:34 Mikiya Fujii

Typo is corrected. Mndo::CalcTwoElecTowCore is renamed to Mndo::CalcTwoElecTwoCore

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@231 1136aad2-a195-0410-b898-f5ea1d11b9d8
5277979 2011-10-20 01:14:16 Mikiya Fujii

Mndo::GetSemiEmpiricalMultipoleInteractionFirstDerivative and Mndo::GetNddoRepulsionIntegralFirstDerivative are implemented. #26395

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@230 1136aad2-a195-0410-b898-f5ea1d11b9d8
1ec4a1f 2011-10-19 22:14:12 Mikiya Fujii

Heats of formation in MNDO is implemented. #26393

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@229 1136aad2-a195-0410-b898-f5ea1d11b9d8
87d7a71 2011-10-17 23:39:39 Mikiya Fujii

Mndo::CalcTwoElecTowCore is omp-paralellixed. #26393

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@228 1136aad2-a195-0410-b898-f5ea1d11b9d8
3021138 2011-10-17 23:23:38 Mikiya Fujii

Parameters for sulfur in MNDO are corrected.

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@227 1136aad2-a195-0410-b898-f5ea1d11b9d8
262ddda 2011-10-15 01:06:14 Mikiya Fujii

A bug in Mndo.h are fixed. #26393

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@226 1136aad2-a195-0410-b898-f5ea1d11b9d8
0b54ab0 2011-10-14 21:58:53 Mikiya Fujii

Bugs in Mndo.h are fixed. #26393

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@225 1136aad2-a195-0410-b898-f5ea1d11b9d8
0a6e65f 2011-10-14 18:24:55 Mikiya Fujii

Reverted to ref. 222 #26393

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@224 1136aad2-a195-0410-b898-f5ea1d11b9d8
5980e21 2011-10-14 18:06:59 Mikiya Fujii

Mndo.h is refactored. #26393

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@223 1136aad2-a195-0410-b898-f5ea1d11b9d8
0b81398 2011-10-14 09:04:37 Mikiya Fujii

A bug is fixed. #26393

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@222 1136aad2-a195-0410-b898-f5ea1d11b9d8
25c7559 2011-10-14 07:05:20 Mikiya Fujii

MNDO(HF) is implemented. But there are bugs. #26393

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@221 1136aad2-a195-0410-b898-f5ea1d11b9d8
dba8983 2011-10-14 02:32:58 Mikiya Fujii

Mallocer and Freer for 6d matrix is added.

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@220 1136aad2-a195-0410-b898-f5ea1d11b9d8
bc065b8 2011-10-13 22:38:51 Mikiya Fujii

Cndo2.h is refactored. #26393

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@219 1136aad2-a195-0410-b898-f5ea1d11b9d8
82c4a7e 2011-10-13 19:20:55 Mikiya Fujii

Mndo::CalcTwoElecTwoCoreMatrixTwoAtoms is implemeted. #26393

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@218 1136aad2-a195-0410-b898-f5ea1d11b9d8
e3d5c38 2011-10-13 07:30:17 Mikiya Fujii

Mndo::GetNddoRepulsionIntegral is implemented. #26393

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@217 1136aad2-a195-0410-b898-f5ea1d11b9d8
1b485d5 2011-10-13 05:41:46 Mikiya Fujii

Atom::mndoDerivedParameterD[] is a little bit refactored. #26393

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@216 1136aad2-a195-0410-b898-f5ea1d11b9d8
7a6cff8 2011-10-13 04:59:56 Mikiya Fujii

Atom::mndoParameterAlpha is renamede to Atom::mndoAlpha. #26393

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@215 1136aad2-a195-0410-b898-f5ea1d11b9d8
2a1014c 2011-10-13 02:20:59 Mikiya Fujii

Mndo::GetCoreCoreAttraction is deleted. #26393

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@214 1136aad2-a195-0410-b898-f5ea1d11b9d8
1dee52b 2011-10-13 02:14:09 Mikiya Fujii

Mndo::GetElectronCoreAttraction and Mndo::GetCoreCoreAttraction are added. #26393

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@213 1136aad2-a195-0410-b898-f5ea1d11b9d8
b2be0e4 2011-10-13 01:43:54 Mikiya Fujii

Mndo::GetExchangeInt is added. #26393

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@212 1136aad2-a195-0410-b898-f5ea1d11b9d8
87e05ca 2011-10-13 01:39:58 Mikiya Fujii

A bug in Mndo::GetCoulombInt is corrected. #26393

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@211 1136aad2-a195-0410-b898-f5ea1d11b9d8
e4758e4 2011-10-13 01:34:57 Mikiya Fujii

Mndo::GetCoulombInt is added. #26393

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@210 1136aad2-a195-0410-b898-f5ea1d11b9d8
4ec9b51 2011-10-13 00:56:52 Mikiya Fujii

MNDO parameters for 1-core integrals are added. #26393

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@209 1136aad2-a195-0410-b898-f5ea1d11b9d8
32a1843 2011-10-13 00:22:58 Mikiya Fujii

Mndo::GetNddoRepulsionIntegral is a little bit refactored. #26393

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@208 1136aad2-a195-0410-b898-f5ea1d11b9d8
84421e6 2011-10-12 17:44:18 Mikiya Fujii

Methods to get MNDO-parameters are added. #26393

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@207 1136aad2-a195-0410-b898-f5ea1d11b9d8
b9e1d00 2011-10-12 02:55:03 Mikiya Fujii

Parameters and refferences for MNDO are added. #26393

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@206 1136aad2-a195-0410-b898-f5ea1d11b9d8
e8c4692 2011-10-11 19:17:43 Mikiya Fujii

Atom::GetOrbitalExponent is refactored. #26393

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@205 1136aad2-a195-0410-b898-f5ea1d11b9d8
a8e5d64 2011-10-11 19:03:41 Mikiya Fujii

Mndo::GetNddoRepulsionIntegral is added. But, this method is not completed yet. #26393

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@204 1136aad2-a195-0410-b898-f5ea1d11b9d8
395c1e9 2011-10-11 01:29:55 Mikiya Fujii

Mndo::eGetSemiEmpiricalMultipoleInteraction is added

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@203 1136aad2-a195-0410-b898-f5ea1d11b9d8
bd84004 2011-10-10 20:45:36 Mikiya Fujii

mndo/Mndo.h is added. #26393

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/MolDS/trunk@202 1136aad2-a195-0410-b898-f5ea1d11b9d8