readme_eduDV.txt

@pdqԌvZVXeeduDV@

PDTv
----+----1----+----2----+----3----+----4----+----5----+----6
@@EЁuVł͂߂Ă̓dqԌvZvŏЉĂDV-X
@@@qO@vOCXg[Windows-PC
@@@vZɁA{VXeǉ邱ƂɂA
@@@{VXe͂g܂B
----+----1----+----2----+----3----+----4----+----5----+----6
@@E{VXedatatH_AdoctH_AexectH_A
@@@lscattH_AobjecttH_AscattH_ׂāA
@@@uVł͂߂Ă̓dqԌvZvō\z
@@@ǉĂB
@@@ڍׂȍƎ菇́AuVł͂߂Ă̓dqԌvZv123y[W
@@@ɏĂ܂̂łQƉB
@@@https://www.sankyoshuppan.co.jp/products/detail.php?product_id=650
----+----1----+----2----+----3----+----4----+----5----+----6
@@Eȉ̊eVXesɂẮAcalcfBNg̉
@@@KȖ̂̋fBNg쐬A̋fBNgɂ
@@@ȉ̃VXeNĂ
@@@eVXȅڍׂȉ͈ȉURLɂ܂̂łQƉB
@@@http://www.chem.ous.ac.jp/%7Egsakane/fun/index.html#edudv
----+----1----+----2----+----3----+----4----+----5----+----6
@@EI[g}`bN(S)o[ẂAvZIA
@@@DVPLOTNL07Iׂ΃GlM[ʐ}܂B
@@@܂AVENUSœǂݍނ߂̑SqOf[^(*.sca)
@@@oオĂ܂̂ŁAɑSqO̔g֐
@@@Ód|eV}bvOŉĂ܂B
----+----1----+----2----+----3----+----4----+----5----+----6
@@EVENUS(VESTA)̓@Agp@ɂ܂ẮA
@@@uVł͂߂Ă̓dqԌvZv̂Úi120y[W`174y[Wj
@@@тV͂7-6i201y[W`213y[WjɏĂ܂̂
@@@QƉB
@@@https://www.sankyoshuppan.co.jp/products/detail.php?product_id=650
----+----1----+----2----+----3----+----4----+----5----+----6
@@EWindows 10ɂΉŐVłDV-Xst@CA
@@@ŐVłVENUS(VESTA)Aу^uGfB^iGۃGfB^j
@@@ŎsDV-X@vZxƋɖ{VXep܂B
@@@\z@Agp@ɂ܂ẮAȉURLPDF
@@@ɉ܂̂ŁAQƉB
@@@http://www.chem.ous.ac.jp/%7Egsakane/HidemaruDV/HidemaruDV.pdf
----+----1----+----2----+----3----+----4----+----5----+----6

QDeVXe̎giTvj

----+----1----+----2----+----3----+----4----+----5----+----6
eVXȅڍׂȉ͈ȉURLɂ܂̂łQƉB
http://www.chem.ous.ac.jp/%7Egsakane/fun/index.html#edudv

ȉɁATvL܂B

a. ܂AvZq̌qԋEpx𒲂ׂB
   (Ⴆ΁Aw֗)

b. fꗗ\
   http://www.chem.ous.ac.jp/%7Egsakane/fun/index.html#edudv
   ANׂVXe߂B

c. R}hvvg𗧂グAc:\dvxa\calc\̉
   KȃtH_쐬AVXeNB

   () Ⴆ΁Ax[̏ꍇ
   cd calc[Enter]
   md c6h6[Enter]
   cd c6h6[Enter]
   d6h66n[Enter]

d. VXeKvȌqԍAqԋEpxAdׂ
   uĂ̂ŁAɓĂB

   () Ⴆ΁Ax[̏ꍇ
   6[Enter]
   1[Enter]
   1.399[Enter]
   1.101[Enter]

e. VENUSŔg֐Ód|eV}bvOB

eVXȅЉ
----+----1----+----2----+----3----+----4----+----5----+----6

2-1. j񌴎qqiDhΏ́jfqA_fqȂA2^q

@2-1-1. I[g}`bN(S)o[W(mXs)
@@@@@d8h2n[Enter]i܂ a2n[Enter] ł͓j

@2-1-2. I[g}`bN(S)o[W(Xs)
@@@@@d8h2s[Enter]i܂ a2s[Enter] ł͓j

@2-1-3. }jAiXebvoCXebvjo[W
@@@@@d8h2[Enter]i܂ a2[Enter] ł͓j
----+----1----+----2----+----3----+----4----+----5----+----6

2-2. يj񌴎qqiCvΏ́j_YfqȂAB^q

@2-2-1. I[g}`bN(S)o[W(mXs)
@@@@@c8v11n[Enter]i܂ abn[Enter] ł͓j

@2-2-2. I[g}`bN(S)o[W(Xs)
@@@@@c8v11s[Enter]i܂ abs[Enter] ł͓j

@2-2-3. }jAiXebvoCXebvjo[W
@@@@@c8v11[Enter]i܂ ab[Enter] ł͓j
----+----1----+----2----+----3----+----4----+----5----+----6

2-3. AB2^qiDhΏ́j_YfqȂ

@2-3-1. I[g}`bN(S)o[W(mXs)
@@@@@d8h12n[Enter]i܂ ab2n[Enter] ł͓j

@2-3-2. I[g}`bN(S)o[W(Xs)
@@@@@d8h12s[Enter]i܂ ab2s[Enter] ł͓j

@2-3-3. }jAiXebvoCXebvjo[W
@@@@@d8h12[Enter]i܂ ab2[Enter] ł͓j
----+----1----+----2----+----3----+----4----+----5----+----6

2-4. A2B2^qiDhΏ́jAZ`qȂ

@2-4-1. I[g}`bN(S)o[W(mXs)
@@@@@d8h22n[Enter]i܂ a2b2n[Enter] ł͓j

@2-4-2. I[g}`bN(S)o[W(Xs)
@@@@@d8h22s[Enter]i܂ a2b2s[Enter] ł͓j

@2-4-3. }jAiXebvoCXebvjo[W
@@@@@d8h22[Enter]i܂ a2b2[Enter] ł͓j
----+----1----+----2----+----3----+----4----+----5----+----6

2-5. ABC^qiCvΏ́jVAfqȂ

@2-5-1. I[g}`bN(S)o[W(mXs)
@@@@@c8v111n[Enter]i܂ abcn[Enter] ł͓j

@2-5-2. I[g}`bN(S)o[W(Xs)
@@@@@c8v111s[Enter]i܂ abcs[Enter] ł͓j

@2-5-3. }jAiXebvoCXebvjo[W
@@@@@c8v111[Enter]i܂ abc[Enter] ł͓j
----+----1----+----2----+----3----+----4----+----5----+----6

2-6. ABCD^qiCvΏ́jHCNOqȂ

@2-6-1. I[g}`bN(S)o[W(mXs)
@@@@@c8v1111n[Enter]i܂ abcdn[Enter] ł͓j

@2-6-2. I[g}`bN(S)o[W(Xs)
@@@@@c8v1111s[Enter]i܂ abcds[Enter] ł͓j

@2-6-3. }jAiXebvoCXebvjo[W
@@@@@c8v1111[Enter]i܂ abcd[Enter] ł͓j
----+----1----+----2----+----3----+----4----+----5----+----6

2-7. ܂AB2^qiC2vΏ́jqA񗰉fqȂ

@2-7-1. I[g}`bN(S)o[W(mXs)
@@@@@c2v12n[Enter]

@2-7-2. I[g}`bN(S)o[W(Xs)
@@@@@c2v12s[Enter]

@2-7-3. }jAiXebvoCXebvjo[W
@@@@@c2v12[Enter]
----+----1----+----2----+----3----+----4----+----5----+----6

2-8. OpAB3^qiC3vΏ́jAjAqȂ

@2-8-1. I[g}`bN(S)o[W(mXs)
@@@@@c3v13n[Enter]

@2-8-2. I[g}`bN(S)o[W(Xs)
@@@@@c3v13s[Enter]

@2-8-3. }jAiXebvoCXebvjo[W
@@@@@c3v13[Enter]
----+----1----+----2----+----3----+----4----+----5----+----6

2-9. G`^qiD2hΏ́jG`qȂ

@2-9-1. I[g}`bN(S)o[W(mXs)
@@@@@d2h24n[Enter]

@2-9-2. I[g}`bN(S)o[W(Xs)
@@@@@d2h24s[Enter]

@2-9-3. }jAiXebvoCXebvjo[W
@@@@@d2h24[Enter]
----+----1----+----2----+----3----+----4----+----5----+----6

2-10. G^^qiD3dΏ́jG^qȂ

@2-10-1. I[g}`bN(S)o[W(mXs)
@@@@@d3d26n[Enter]

@2-10-2. I[g}`bN(S)o[W(Xs)
@@@@@d3d26s[Enter]

@2-10-3. }jAiXebvoCXebvjo[W
@@@@@d3d26[Enter]
----+----1----+----2----+----3----+----4----+----5----+----6

2-11. ʐOp`qiD3hΏ́jOtbzEfqȂ

@2-11-1. I[g}`bN(S)o[W(mXs)
@@@@@d3h13n[Enter]

@2-11-2. I[g}`bN(S)o[W(Xs)
@@@@@d3h13s[Enter]

@2-11-3. }jAiXebvoCXebvjo[W
@@@@@d3h13[Enter]
----+----1----+----2----+----3----+----4----+----5----+----6

2-12. ʐ`CIiD4hΏ́j[PtCl4]2-Ȃ

@2-12-1. I[g}`bN(S)o[W(mXs)
@@@@@d4h14n[Enter]

@2-12-2. I[g}`bN(S)o[W(Xs)
@@@@@d4h14s[Enter]

@2-12-3. }jAiXebvoCXebvjo[W
@@@@@d4h14[Enter]
----+----1----+----2----+----3----+----4----+----5----+----6

2-13. ʐZp`x[^qiD6hΏ́j

@2-13-1. I[g}`bN(S)o[W(mXs)
@@@@@d6h66n[Enter]

@2-13-2. I[g}`bN(S)o[W(Xs)
@@@@@d6h66s[Enter]

@2-13-3. }jAiXebvoCXebvjo[W
@@@@@d6h66[Enter]
----+----1----+----2----+----3----+----4----+----5----+----6

2-14. lʑAB4^qiTdΏ́j^qȂ

@2-14-1. I[g}`bN(S)o[W(mXs)
@@@@@td14n[Enter]

@2-14-2. I[g}`bN(S)o[W(Xs)
@@@@@td14s[Enter]

@2-14-3. }jAiXebvoCXebvjo[W
@@@@@td14[Enter]
----+----1----+----2----+----3----+----4----+----5----+----6

2-15. ʑAB6^qiOhΏ́jZtbqȂ

@2-15-1. I[g}`bN(S)o[W(mXs)
@@@@@oh16n[Enter]

@2-15-2. I[g}`bN(S)o[W(Xs)
@@@@@oh16s[Enter]

@2-15-3. }jAiXebvoCXebvjo[W
@@@@@oh16[Enter]
----+----1----+----2----+----3----+----4----+----5----+----6

2-16. lʑA(BC)4^qiTdΏ́jegJ{jjbP̂Ȃ

@2-16-1. I[g}`bN(S)o[W(mXs)
@@@@@td144n[Enter]

@2-16-2. I[g}`bN(S)o[W(Xs)
@@@@@td144s[Enter]

@2-16-3. }jAiXebvoCXebvjo[W
@@@@@td144[Enter]
----+----1----+----2----+----3----+----4----+----5----+----6

2-17. ʑA(BC)6^iOhΏ́jwLTJ{jN̂Ȃ

@2-17-1. I[g}`bN(S)o[W(mXs)
@@@@@oh166n[Enter]

@2-17-2. I[g}`bN(S)o[W(Xs)
@@@@@oh166s[Enter]

@2-17-3. }jAiXebvoCXebvjo[W
@@@@@oh166[Enter]
----+----1----+----2----+----3----+----4----+----5----+----6

2-18. wLTANTzCIiD2hΏ́j

@2-18-1. I[g}`bN(S)o[W(mXs)
@@@@@mh2o6n[Enter]

@2-18-2. I[g}`bN(S)o[W(Xs)
@@@@@mh2o6s[Enter]

@2-18-3. }jAiXebvoCXebvjo[W
@@@@@mh2o6[Enter]
----+----1----+----2----+----3----+----4----+----5----+----6

2-19. lʑ[ML4]n(+ or -)^CIiTdΏ́j

@2-19-1. I[g}`bN(S)o[W(mXs)
@@@@@ml4n[Enter]

@2-19-2. I[g}`bN(S)o[W(Xs)
@@@@@ml4s[Enter]

@2-19-3. }jAiXebvoCXebvjo[W
@@@@@ml4[Enter]
----+----1----+----2----+----3----+----4----+----5----+----6

2-20. ʑ[ML6]n(+ or -)^CIiOhΏ́j

@2-20-1. I[g}`bN(S)o[W(mXs)
@@@@@ml6n[Enter]

@2-20-2. I[g}`bN(S)o[W(Xs)
@@@@@ml6s[Enter]

@2-20-3. }jAiXebvoCXebvjo[W
@@@@@ml6[Enter]
----+----1----+----2----+----3----+----4----+----5----+----6

2-21. PqiΏ̂Ȃj

@2-21-1. I[g}`bN(S)o[W(mXs)
@@@@@atomn[Enter]

@2-21-2. }jAiXebvoCXebvjo[W
@@@@@atom[Enter]
----+----1----+----2----+----3----+----4----+----5----+----6

2-22. PqCIiΏ̂Ȃj

@2-22-1. I[g}`bN(S)o[W(mXs)
@@@@@ionn[Enter]

@2-22-2. }jAiXebvoCXebvjo[W
@@@@@ion[Enter]
----+----1----+----2----+----3----+----4----+----5----+----6
RDvOp҂ւ̂肢
----+----1----+----2----+----3----+----4----+----5----+----6

́updqԌvZVXev́AEړIɌāA
Rɂg܂B

̃VXe͏ЁuVł͂߂Ă̓dqԌvZvŏЉĂ
vOɒǉ邱Ƃɂ肨gvOE
f[^WłA̒쌠́AЁuVł͂߂Ă̓dqԌvZv
xiiy[WɋLڂĂ钘쌠\ɏ܂B

̃VXéADV-X̐헪IvOJi
(SPD(Division of Strategic Program Development))
http://chem.sci.hyogo-u.ac.jp/spd/
̈ȉ̃o[ɂJ܂B

contrd, contrdall, makec04d: w 쐳
̑FRȑw ⍪

----+----1----+----2----+----3----+----4----+----5----+----6

SDChangelogs

2006N0804 Version 1.0 ʌJ
2007N0402 makec04dst@CEob`t@Cǉ
2007N0607 Open Watcom Fortran ver. 1.6 Ŏst@Crh
2007N0830 Open Watcom Fortran ver. 1.7 Ŏst@Crh
2007N0906 D8h12̃oOC(gubNy20(1)̍01ɏC)
2007N0911 ion, ionnǉ
2007N1022 Open Watcom Fortran ver. 1.7aRC1 Ŏst@Crh
2007N1025 Open Watcom Fortran ver. 1.7aRC2 Ŏst@Crh
2007N1105 Open Watcom Fortran ver. 1.7a Ŏst@Crh
2009N0105 Open Watcom Fortran ver. 1.8RC1 Ŏst@Crh
2009N0106 Open Watcom Fortran ver. 1.8RC2 Ŏst@Crh
2009N0126 Open Watcom Fortran ver. 1.8RC3 Ŏst@Crh
2009N0217 Open Watcom Fortran ver. 1.8RC4 Ŏst@Crh
2009N0223 Open Watcom Fortran ver. 1.8 Ŏst@Crh
2010N0308 f01addǉ
2010N0423 Open Watcom Fortran ver. 1.9RC4 Ŏst@Crh
2010N0604 Open Watcom Fortran ver. 1.9 Ŏst@Crh
2011N0915 D2h24ǉ
2012N0119 f01xyzǉ
2012N1220 D3d26ǉ
2013N1016 Auto-eduDVǉ
2015N0108 c2v12, c3v13, d2h24, d3d26, d3h13, d4h14, d6h66,
               td14, oh16, td144, oh166, mh2o6(D2h)symOrb
               č쐬is, p, d, f, g, h OΉj
2015N1120 doctH_nonrel.pdfǉ
2015N1216 doctH_symOrb.pdfǉ
2016N1228 Open Watcom Fortran ver. 2.0 Ŏst@Crh
               Am, Cm, Bk, Cf, Es, Fm, Md, No, Lr, Rf, Db, Sg,
               Bh, Hs, Mt, Ds, Rg, Cn, Nh, Fl, Mc, Lv, Ts, Og ɑΉ
2017N0111 doctH_atom_ion.pdfǉ
2018N0125 doctH_eduDV2017.pdfǉ
2018N1213 doctH_nonsym.pdfǉ
2019N1230 doctH_nonsym2.pdfǉ
2020N0221 readme_eduDV.txtҏW
2021N0202 doctH_eduDVappl.pdfǉ
2021N0226 readme_eduDV.txtҏW
----+----1----+----2----+----3----+----4----+----5----+----6

TDeduDVɊւ_E

[1] ⍪,
@@gDV-XqOvZvOƎOVXeVENUS̑wbwł̊ph,
@@{w22NiRj_W, 2D3, 198-199 (2006).

[2] ⍪, acPV,
@@gpF01EF25VXeeduDVƍ̌vZpF05VXeMAKEF05SCFSh,
@@Bulletin of the Society for Discrete Variational X, 20(1&2), 247-251, (2007).

[3] nj, xmv, ⍪,
@@g3VXeVESTADV-X@vZx̊Jh,
@@Bulletin of the Society for Discrete Variational X, 20(1&2), 252-253, (2007).

[4] Genta Sakane, Koichi Momma, Fujio Izumi,
@@gBuilding of an Integrated Assistance Environment for the DV-X Methodh,
@@7th Award for Distinguished Contributions, Memorial Award Lecture,
@@Bulletin of the Society for Discrete Variational X, 21(1&2), 13-17, (2008).

[5] ⍪,
@@glވ琬̂߂̎ƏЉ, w,
@@pqOvZVXeeduDV𗘗pdqɂĂ̊bwh,
@@JUCE JournaliwƏj, 18 (4), 15 (2010),
@@http://www.juce.jp/LINK/journal/1002/03_03.html

[6] ⍪,
@@gpqOvZVXeeduDV̊Jh,
@@Rȑw񏈗Z^[
@@(The Bulletin of the Information Processing Center,
@@Okayama University of Science), ISSN 1341-6839, 31, 9-17, (2010).
@@http://www.center.ous.ac.jp/pdf/bulletin/bulletin_31.pdf

[7] ⍪,
@@gpqOvZVXeeduDV̊JiQjh,
@@Rȑw񏈗Z^[
@@(The Bulletin of the Information Processing Center,
@@Okayama University of Science), ISSN 1341-6839, 32, 11-36, (2011).
@@http://www.center.ous.ac.jp/pdf/bulletin/bulletin_32.pdf

[8] ⍪,
@@gpqOvZVXeeduDV̊JiRjh,
@@Rȑw񏈗Z^[
@@(The Bulletin of the Information Processing Center,
@@Okayama University of Science), ISSN 1341-6839, 33, 1-31, (2012).
@@http://www.center.ous.ac.jp/pdf/bulletin/bulletin_33.pdf

[9] ⍪,
@@gpqOvZVXeeduDV̊JiSjh,
@@Rȑw񏈗Z^[
@@(The Bulletin of the Information Processing Center,
@@Okayama University of Science), ISSN 1341-6839, 34, 1-37, (2013).
@@http://www.center.ous.ac.jp/pdf/bulletin/bulletin_34.pdf

[10] ⍪,
@@gpqOvZVXeeduDV̊JiTjh,
@@Rȑw񏈗Z^[
@@(The Bulletin of the Information Processing Center,
@@Okayama University of Science), ISSN 1341-6839, 35, 1-32, (2014).
@@http://www.center.ous.ac.jp/pdf/bulletin/bulletin_35.pdf

[11] ⍪,
@@gpqOvZVXeeduDV̊JiUjh,
@@Rȑw񏈗Z^[
@@(The Bulletin of the Information Processing Center,
@@Okayama University of Science), ISSN 1341-6839, 36, 1-18, (2015).
@@http://www.center.ous.ac.jp/pdf/bulletin/bulletin_36.pdf

[12] ⍪,
@@gpqOvZVXeeduDV̊JiVjh,
@@Rȑw񏈗Z^[
@@(The Bulletin of the Information Processing Center,
@@Okayama University of Science), ISSN 1341-6839, 37, 1-16, (2016).
@@http://www.center.ous.ac.jp/pdf/bulletin/bulletin_37.pdf

[13] ⍪,
@@gpqOvZVXeeduDV̊JiWjh,
@@Rȑw񏈗Z^[
@@(The Bulletin of the Information Processing Center,
@@Okayama University of Science), ISSN 1341-6839, 38, 1-20, (2017).
@@http://www.center.ous.ac.jp/pdf/bulletin/bulletin_38.pdf

[14] ⍪,
@@gpqOvZVXeeduDV̊JiXjh,
@@Rȑw񏈗Z^[
@@(The Bulletin of the Information Processing Center,
@@Okayama University of Science), ISSN 1341-6839, 39, 1-20, (2018).
@@http://www.center.ous.ac.jp/pdf/bulletin/bulletin_39.pdf

[15] ⍪, X`T,
@@gpqOvZVXeeduDV̊JiPOjh,
@@Rȑw񏈗Z^[
@@(The Bulletin of the Information Processing Center,
@@Okayama University of Science), ISSN 1341-6839, 40, 11-30, (2019).
@@http://www.center.ous.ac.jp/pdf/bulletin/bulletin_40.pdf

[16] ⍪, X`T,
@@gpqOvZVXeeduDV̋猻ւ̊ph,
@@Rȑw񏈗Z^[
@@(The Bulletin of the Information Processing Center,
@@Okayama University of Science), ISSN 1341-6839, 41/42, 9-28, (2020/2021).

[17] ⍪,
@@gDV-X@vZxp̎h,
@@1-176, (2021).
@@http://www.chem.ous.ac.jp/~gsakane/HidemaruDV/HidemaruDV.pdf

[18] TF, }, acPV, ⍪, 쐳, 
@@gV ͂߂Ă̓dqԌvZ DV-XqOvZւ̓h,
@@Oo, (2017).
@@https://www.sankyoshuppan.co.jp/products/detail.php?product_id=650

UDA

{VXepɂȂ܂āAv]EzECÂ̓_
Ȃǂ܂ALɂm点B

700-0005
R Rs k 咬 1-1
Rȑw 琄i@\ ՋZ^[ ȊwZp畔
Rȑww@ w wU
  ⍪(SAKANE, Genta)
e-mail: gsakane@chem.ous.ac.jp
http://www.chem.ous.ac.jp/%7Egsakane/
----+----1----+----2----+----3----+----4----+----5----+----6