Gaussian 2003 Rev. E01 EM64T
movies, software, shows...
Files
| amber.prm | 15.2 KB | ||
| basis | |||
| 321.gbs | 39.49 KB | ||
| 321.gbs.old | 6.55 KB | ||
| 631.gbs | 10.42 KB | ||
| 6311.gbs | 4.68 KB | ||
| 6311s.gbs | 451 B | ||
| 6311ss.gbs | 113 B | ||
| 631s.gbs | 905 B | ||
| 631ss.gbs | 113 B | ||
| 741.gbs | 3.96 KB | ||
| 74141.gbs | 3.95 KB | ||
| 74142.gbs | 4.15 KB | ||
| akr4.gbs | 39.68 KB | ||
| akr45.gbs | 9.09 KB | ||
| citry.gbs | 2.08 KB | ||
| d95.gbs | 9.05 KB | ||
| d95v.gbs | 4.79 KB | ||
| dgauss-a1.gbs | 15.62 KB | ||
| he9s.gbs | 351 B | ||
| hfsbas.lst | 41.38 KB | ||
| hfsbasis.lst | 8.93 KB | ||
| hfspol.gbs | 221 B | ||
| hfstz.gbs | 2.26 KB | ||
| hfstz2p.gbs | 209 B | ||
| mc6311.gbs | 10.04 KB | ||
| mmgmbs.gbs | 3.48 KB | ||
| plus.gbs | 1.17 KB | ||
| plusplus.gbs | 113 B | ||
| rydberg.gbs | 393 B | ||
| sto3g.gbs | 6.34 KB | ||
| tbmfit.gbs | 81.12 KB | ||
| tbmfitu.gbs | 24.61 KB | ||
| tm-rj-uncon.gbs | 20.86 KB | ||
| vd10s6p.gbs | 2.02 KB | ||
| vd11s7p.gbs | 6.38 KB | ||
| vd13s8p.gbs | 6.16 KB | ||
| vd8s4p.gbs | 3.3 KB | ||
| vd9s5p.gbs | 4.99 KB | ||
| bsd | |||
| Gau_External | 3.61 KB | ||
| backup.cron | 68 B | ||
| backup.job | 220 B | ||
| cachesize | 403 B | ||
| check-subs | 818 B | ||
| checkf | 1.07 KB | ||
| ckall | 193 B | ||
| ckfail | 463 B | ||
| cleanscr | 314 B | ||
| clearipc | 290 B | ||
| clone-working | 678 B | ||
| clone-working1 | 153 B | ||
| cloneg03 | 1.24 KB | ||
| cmpred | 2.68 KB | ||
| co1 | 52 B | ||
| comp | 325 B | ||
| cpp.h | 14.96 KB | ||
| diff-bsd | 240 B | ||
| diff-src | 240 B | ||
| extract-ghelp | 806 B | ||
| extract-ghelp-03 | 806 B | ||
| extuffex | 539 B | ||
| fixlib | 710 B | ||
| fname.sh | 1.25 KB | ||
| formchk.doc | 19.52 KB | ||
| fuck | 153 B | ||
| g03.login | 2.99 KB | ||
| g03.profile | 1.02 KB | ||
| g03l | 82 B | ||
| g03m | 126 B | ||
| g03n | 620 B | ||
| gau-arflags | 652 B | ||
| gau-get | 462 B | ||
| gau-ranlib | 582 B | ||
| gau-unlimit | 405 B | ||
| get-ref | 386 B | ||
| gethostlist.csh | 566 B | ||
| getx | 811 B | ||
| gg | 631 B | ||
| ghelp.awk | 153 B | ||
| gxwmsg.h | 716 B | ||
| install | 197 B | ||
| linda-ln | 154 B | ||
| linda-lnx | 226 B | ||
| lx-working | 80 B | ||
| lxi-working | 396 B | ||
| make-nutill | 196 B | ||
| makepg | 1.01 KB | ||
| mdut-necsx.ld | 56 B | ||
| mygau | 4.19 KB | ||
| preproc | 1.95 KB | ||
| readme.cpp | 4.32 KB | ||
| recomp-par | 284 B | ||
| ren | 178 B | ||
| save-working | 542 B | ||
| setup-linda | 139 B | ||
| setup-make | 8.95 KB | ||
| setup-make.1 | 9.02 KB | ||
| ssrunx | 350 B | ||
| subg03 | 1.69 KB | ||
| test-times | 161 B | ||
| testl1 | 20.2 KB | ||
| upd | 1.14 KB | ||
| upd-util | 139 B | ||
| updatelink | 788 B | ||
| updatelink1 | 1.96 KB | ||
| updfiles | 194 B | ||
| c8603 | 1.31 MB | ||
| chkchk | 1.27 MB | ||
| chkmove | 1.25 MB | ||
| cktoig | 1.2 MB | ||
| cubegen | 4.33 MB | ||
| cubman | 958.95 KB | ||
| demofc | 842.01 KB | ||
| dreiding.prm | 5.39 KB | ||
| formchk | 1.36 MB | ||
| freqchk | 4.21 MB | ||
| freqmem | 1.18 MB | ||
| g03 | 1.15 MB | ||
| gau-cpp | 37.68 KB | ||
| gau-fsplit | 14.55 KB | ||
| gau-machine | 6.39 KB | ||
| gauopt | 2.44 MB | ||
| gautraj | 1.26 MB | ||
| ghelp | 1.41 MB | ||
| ghelp.hlp | 22.3 KB | ||
| ham506 | 1.16 MB | ||
| l1.exe | 2.65 MB | ||
| l1002.exe | 10.44 MB | ||
| l1003.exe | 6.34 MB | ||
| l101.exe | 2.57 MB | ||
| l1014.exe | 9.73 MB | ||
| l102.exe | 1.23 MB | ||
| l103.exe | 7.79 MB | ||
| l105.exe | 3.51 MB | ||
| l106.exe | 1.43 MB | ||
| l107.exe | 1.62 MB | ||
| l108.exe | 1.23 MB | ||
| l109.exe | 3.61 MB | ||
| l110.exe | 1.23 MB | ||
| l1101.exe | 4.7 MB | ||
| l1102.exe | 4.19 MB | ||
| l111.exe | 1.24 MB | ||
| l1110.exe | 10.2 MB | ||
| l1111.exe | 6.64 MB | ||
| l1112.exe | 8 MB | ||
| l113.exe | 3.63 MB | ||
| l114.exe | 3.63 MB | ||
| l115.exe | 3.12 MB | ||
| l116.exe | 1.3 MB | ||
| l117.exe | 4.45 MB | ||
| l118.exe | 3.96 MB | ||
| l120.exe | 6.82 MB | ||
| l121.exe | 7.57 MB | ||
| l122.exe | 1.22 MB | ||
| l202.exe | 3.31 MB | ||
| l301.exe | 9.74 MB | ||
| l302.exe | 8.82 MB | ||
| l303.exe | 4.13 MB | ||
| l307.exe | 1.39 MB | ||
| l308.exe | 4.07 MB | ||
| l310.exe | 1.29 MB | ||
| l311.exe | 1.33 MB | ||
| l314.exe | 1.75 MB | ||
| l315.exe | 1.24 MB | ||
| l316.exe | 1.2 MB | ||
| l317.exe | 3.31 MB | ||
| l318.exe | 3.32 MB | ||
| l319.exe | 4.05 MB | ||
| l401.exe | 10.38 MB | ||
| l402.exe | 8.22 MB | ||
| l405.exe | 1.43 MB | ||
| l502.exe | 13.56 MB | ||
| l503.exe | 2.87 MB | ||
| l504.exe | 3.53 MB | ||
| l506.exe | 5.02 MB | ||
| l508.exe | 10.26 MB | ||
| l510.exe | 13.84 MB | ||
| l601.exe | 7.7 MB | ||
| l602.exe | 5.17 MB | ||
| l604.exe | 2.88 MB | ||
| l607.exe | 5.53 MB | ||
| l608.exe | 7.47 MB | ||
| l609.exe | 5.08 MB | ||
| l610.exe | 4.25 MB | ||
| l701.exe | 6.18 MB | ||
| l702.exe | 1.5 MB | ||
| l703.exe | 9.76 MB | ||
| l716.exe | 5.96 MB | ||
| l801.exe | 10.42 MB | ||
| l802.exe | 1.27 MB | ||
| l804.exe | 5.27 MB | ||
| l811.exe | 3.78 MB | ||
| l901.exe | 2.58 MB | ||
| l902.exe | 1.53 MB | ||
| l903.exe | 1.2 MB | ||
| l904.exe | 6.7 MB | ||
| l905.exe | 1.21 MB | ||
| l906.exe | 5.44 MB | ||
| l908.exe | 5.5 MB | ||
| l913.exe | 11.17 MB | ||
| l914.exe | 10.2 MB | ||
| l915.exe | 3.09 MB | ||
| l916.exe | 10.45 MB | ||
| l918.exe | 2.75 MB | ||
| l923.exe | 10.03 MB | ||
| l9999.exe | 4.62 MB | ||
| linda-dummy | 974.48 KB | ||
| mm | 6.82 MB | ||
| newzmat | 6.26 MB | ||
| pluck | 848.61 KB | ||
| putil.hlp | 2.68 KB | ||
| rwfdump | 1.16 MB | ||
| testrt | 5.16 MB | ||
| uff.prm | 20.46 KB | ||
| unfchk | 1.34 MB | ||
| util.hlp | 513 B | ||
| ▲ 215 total files | |||
Description
Программы и Дизайн » Системы для бизнеса, офиса, научной и проектной работы » Системы для научной работы
Gaussian 2003 Rev. E01 EM64T
Год выпуска: 2007
Версия: Rev. E01
Разработчик: Gaussian, Inc.
Платформа: Linux x86_64
Совместимость с Vista: нет
Системные требования: Memory (RAM): 256 MB (512 MB recommended)
Disk: 500 MB (G03 storage); and 500 MB or more (scratch space)
Таблэтка: Не требуется
Описание: Программа для молекулярного моделирования и квантово-химических расчетов.
Доп. информация: * New keywords for generating hyperfine tensors: Output=SpinRotation (synonym for NMR Output=Pickett), Output=RotationalConstants (synonym for Freq=VibRot Output=Pickett), and Output=QuarticCentrifugal (synonym for Freq=(VibRot,Anharm) Output=Pickett)
* Freq and NMR can now both be on the same route for HF and DFT (not for MP2).
* Improvements in work allocation for shared-memory parallelism in MP2 and the triples part of MP4/CCSD(T).
* The M05 and M05-2X functionals have been added.
Functional Differences in Rev E.01
The keyword "3-21G**" was previously accepted as a basis set. This basis was never defined in the literature, and the keyword put polarization functions on H and second-row atoms but not on first-row atoms, which is not a useful combination. Now this keyword generates an error message. If polarization functions on H and S but not C are really desired, this can still be done using general basis set input.
Bugs Fixed in Rev E.01
* A bug which could cause post-SCF calculations with SCF=Symm on the route to fail was fixed.
* Some memory allocation problems when using file systems with huge block sizes were fixed.
* A problem with the orientation of some tensors produced by Output=Picket when symmetry was in use was fixed.
* BOMD=GradientOnly now works.
* A bug preventing geometry optimization at the MP2 level in the presence of an external electric field has been fixed.
[spoiler="Скриншоты"]
URL=http://ipicture.ru/]
[/URL]
[/spoiler]
Related Torrents
| torrent name | size | uploader | age | seed | leech |
|---|---|---|---|---|---|
| 207.93 MB | alena-smart | 18 years | 4 | 0 |
All Comments