Described below are two methods for preparing input files with basis sets and ECPs which are not currently built in. ... Put basis sets and ECPs in directories (called here def2_svp_BAS and def2_ecp_ECP but you can call them whatever you want) and copy them to the Firefly directory. ... Both methods can also be used for preparing gamess (us) files - the check runs may not terminate properly due to certain keywords, but a useable file called 'input' is normally generated. ...

Еще в разделе: (Показать все результаты (>116) - classic.chem.msu.su/ )

• PC GAMESS/Firefly DOCUMENTATION - TDDFT
• Firefly v. 8.0.0 documentation - numerical gradients
• PC GAMESS/Firefly DOCUMENTATION - running in parallel under Windows using

... Automatic Report Generation . ... We are working on a prototype system for automatically producing a report describing the installation of MPI on the system you are using. ... configure ... >& config.log doc/port Warning: this rebuilds the system, since one of the things the report will contain is the set of machine-specific parameters used and the total time it take to build it. ... This is a LaTeX file and should be processed in the doc directory: . ... Центры . ...

Еще в разделе: (Показать все результаты (>703) - www.parallel.ru/ )

• 
  <tt> mpirun
  </tt>, a Portable Startup Script | PARALLEL.RU -
• Installing
  <tt> mpich
  </tt> for Others to Use | PARALLEL.RU -
• FFTW - Installation and Customization | PARALLEL.RU -

... USER MAILING LIST . ... TAGGING FOR SPAM MAILS . ... spamassassin - extensible email filter used to identify spam . ... Mail :: SpamAssassin Spam detector and markup engine Mail :: SpamAssassin ::ArchiveIterator find and process messages one at a time Mail :: SpamAssassin ::AutoWhitelist auto-whitelist handler for SpamAssassin Mail :: SpamAssassin ::Bayes determine spammishness using a Bayesian classifier Mail :: SpamAssassin ::BayesStore Bayesian Storage Module Mail :: ...

Еще в разделе: (Показать все результаты (>12487) - theory.sinp.msu.ru/ )

• CompHEP/SUSY
• Install
• LanHEP

ChangeLog for / # # Generated by Trac 0.12.5 # 04/11/16 12:31:21 Sat , 04 Dec 2010 20:39:27 GMT darkhan [22:749533cdfc67] * State.py ( modified ) State: readable comments Sat , 04 Dec 2010 20:32:41 GMT darkhan [21:bb4a79cc6b6e] I don't understand... default mercurial: created new head, merged branch Sat , 04 Dec 2010 20:28:47 GMT darkhan [20:eef739e055f4] * Automata.py ( ...

Еще в разделе: (Показать все результаты (>1415) - kodomo.cmm.msu.su/ )

• http://kodomo.cmm.msu.su/trac/cca/log/?format=changelog&rev=749533cdfc67782471aea02a0e4a1859de8ef2bd&limit=100&mode=stop_on_copy
• http://kodomo.cmm.msu.su/trac/cca/log/?format=changelog&rev=c74a9885bf048a4938c290470e671c1c9c68dd33&limit=100&mode=stop_on_copy
• http://kodomo.cmm.msu.su/trac/cca/log/?format=changelog&rev=e368337edc67a64345dbabaec274e4f7ec7f2d42&limit=100&mode=stop_on_copy

... Instructions are in README.TXT file inside the tarball. ... tar -xvf nhunt_x86.tar Query and database files should contain sequences in FASTA format ( wikipedia description ). ... Default name of the output file is 'nhunt.out'. ... Any parameter consists of key and value and is called as '-key value', where 'key' is one character and 'value' is any number of characters. -i Query file . ... No default value. -d Database file . ... No default value. -o Output file . ... Default value: 'nhunt.out' . ...

Еще в разделе: (Показать все результаты (>11) - mouse.genebee.msu.ru/ )

... Use SEARCH . Personal directory of topics you're involved in . ... To set the logo site-wide, first attach your logo image to Main.SitePreferences using the 'Attach' button. ... Here's a list of topics I've been involved in recently:* ---++++ Project Web %SEARCH{ "%TOPIC%" web="Project" scope="text" nonoise="on" order="modified" reverse="on" limit="20" }% . ... Topic* | ... Template Topics . ... This topic: System > WebHome > ReferenceManual > AdminDocumentationCategory > InstantEnhancements . ...

Еще в разделе: (Показать все результаты (>2200) - wiki.cs.msu.ru/ )

• MetaData < System < Foswiki
• CommentPlugin < System < Foswiki
• (backlinks in System Web) RegularExpression < System < Foswiki

О лаборатории . ... Лаборатория теоретической биофизики . ... PyMol is a powerful drawing instrument and here we show how to plot Fukui function with PyMOL after two calculation steps with FireFly (PC-GAMESS). continue reading.. ... Given a molecular object name and QM part selection name (which can be defined using either approach available in PyMol) it generates output file with corresponding input groups. ... All-atom automatic OPLS-AA topology generator . ... 2011 ERG Research Group . ...

Еще в разделе: (Показать все результаты (>49) - erg.biophys.msu.ru/ )

• toolset ERG Research Group: Лаборатория теоретической биофизики
• cp2k ERG Research Group: Лаборатория теоретической биофизики
• python ERG Research Group: Лаборатория теоретической биофизики

Russian TeX Disk . ... Please, use "Save link as" (right mouse button) for downloading files, otherwise binary files will be corrupted. What is russian TeX disk . ... Some TeX versions and tools are installed/russified and can be started directly from CD; other are only distributives plus additional files for their russification. ... FPTEX . ... Directory russian.add: Generic files (mf-sources, pfb-fonts and hyphen file) for russification of any-TeX-realizations in: . ... file readme: . ...

Еще в разделе: (Показать все результаты (>3) - tex.bog.msu.ru/ )

... Executing config_lcgenv Executing config_java Executing config_ glite _tar_ui gLite Security Utilities configuration successfully completed xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx Configuring the gLite R-GMA Client xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx Checking configuration values [ OK ] Verifying the / gLite / glite / etc ... Configuring BDII based Service Discovery [ OK ] Configuring R-GMA based Service Discovery .. ...

Еще в разделе: (Показать все результаты (>12) - lhe.sinp.msu.ru/ )

CALCSYM - complex evaluator . ... CALCSYM.exe and CALCSYMi.exe will allow you to obtain numeric solution for *.out file generated by both CIRSYM and MATSYM programs (computation of freqency responces, unknowns, determinants, sensitivity analysis etc.. ... Setup file name for CALCSYM is "setup.cal". ... CALCSYMi.exe will allow you to work with long double over the range from 3.4*E-4932 to 3.4*E+4932. ... To calculate, run CALCSYM.exe and enter "file_name.OUT" or click on the "ENTER" (in "OUT" case). ...

Еще в разделе: (Показать все результаты (>14) - astrometric.sai.msu.ru/ )

Peremennye Zvezdy", . ... TYC 4016-264-1 . ... Comm. 1 . ... 2MASS J00465096+6017454 . ... TYC 4025-639-1 . ... IRAS 00439+6001, J Ks = 1.409 0.025. ... IRAS 00491+6456 = 2MASS J00521297+6512262, J Ks = 1.379 0.043. ... Two 7.8 5.9 fields in Cassiopeia (136 images centered at = 00:59:05, = +63:31:01, J2000) and Puppis (92 images centered at = 08:14:06, = 24:00:00, J2000) are investigated using the New Milky Way (NMW) survey archive (Sokolovsky, Korotkiy & Lebedev 2013). ... Astron. ... 2006, Astron. ...

Еще в разделе: (Показать все результаты (>8403) - www.astronet.ru/ )

gmtset - To change individual GMT default parameters gmtset PARAMETER1 value1 PARAMETER2 value2 PARAMETER3 value3 ... gmtset will adjust individual GMT defaults settings in the current directory's .gmtdefaults file. If no such file exists one will be created. ... To change the dpi to 600, set anotation font to Helvetica, and select grid-crosses of size 0.1 inch, try gmtset DOTS_PR_INCH 600 ANOT_FONT Helvetica GRID_CROSS_SIZE 0.1i gmt , gmtdefaults . ...

Еще в разделе: (Показать все результаты (>551) - xray.sai.msu.ru/ )

• http://xray.sai.msu.ru/~ivan/gmt/man/psrose.html
• http://xray.sai.msu.ru/~ivan/gmt/man/gmtdefaults.html
• xmgr: Help (draft)

... In particular, Jmol.js uses the split version. ... To invoke JmolApplet.jar from Jmol.js, either: a) put it in the folder containing the HTML page requiring it and do not use jmolInitialize() or b) identify it explicitly in jmolInitialize(), for example: jmolInitialize("folder-containing-jar-files", "JmolApplet.jar") - JmolAppletSigned.jar An equivalent version of the applet, but this is a "signed" or "trusted" applet (a term in Java security language). ...

Еще в разделе: (Показать все результаты (>749) - monkey.belozersky.msu.ru/ )

• DNA/RNA-Protein structures

Fortran-DVM Compiler . Detailed design . ... 3.1 Parsing . 3.2 Transforming parse tree . 3.3 Generating code in Fortran 77 . ... 4.2 Symbol and Type table . ... This report presents the detailed description of the Fortran-DVM (FDVM) compiler implementation. ... The input to the compiler is source code in Fortran DVM or HPF-DVM language. ... It is designed as an open C++ class library that provides a set of parsers, a structured parse tree, a symbol and type tables for a user. ... dvm.cpp . ...

Еще в разделе: (Показать все результаты (>180) - sp.cs.msu.ru/ )

• C-DVM compiler. User's guide
• Fortran DVM compiler. User's guide
• C-DVM compiler. Detailed design

... Subject : J Abel Comments on papers . From : Jennifer Abel < jabel@rodaleinst.org > . ... I have read with great interest many of the papers posted on the Privatization conference. ... Reed and Nikolsky on agrarian reform failures and suggestions intriguing. ... The relatively "modest" decline of the past 5 years can be attributed to the fact that agriculture had good resources around 1991 including proper equipment and land in good condition. By 1995 agriculture had exhausted these resources. ...

Еще в разделе: (Показать все результаты (>468) - www.fadr.msu.ru/ )

... Пользователи -General- Common Current University Society Study Diaspora FAQ Real Estate -Technical- Development Hard&Soft Network Mobile -Market- Market Services Job -Hobby- Behemoth Health Love&Sex Еда Media Games Auto&Moto Sport Hobby Flood Zone -Servant- Alternative Forums Forum -Garbage- Revolution Garbage Private . Alt >> Hard .Linux >> Re: Новинки программного обеспечения . ... Re: Новинки программного обеспечения [ re: bmv ] . ... Only one energy unit is allowed at a time. ...

Еще в разделе: (Показать все результаты (>6419) - www.snto-msu.net/ )

• Настройка cvsup во FreeBSD 6.2 для новичка. - Public forum of MSU united
• Данные по CREDIT DEFAULT SWAPS - Public forum of MSU united student networks
• как настроить pptp для Linux'a? - Public forum of MSU united student networks

Doxyfile 1.4.6-NO # This file describes the settings to be used by the documentation system # doxygen (www.doxygen.org) for a project # # All text after a hash (#) is considered a comment and will be ignored # The format is: # TAG = value [value, .. ... USE_WINDOWS_ENCODING = YES # If the BRIEF_MEMBER_DESC tag is set to YES (the default) Doxygen will # include brief member descriptions after the members that are listed in # the file and class documentation (similar to JavaDoc). ... The default is NO. ...

Еще в разделе: (Показать все результаты (>8) - imaging.cs.msu.ru/ )

... Submitted Sequences: . ... Results 1.REFINED ALIGNMENT Power 4.27 Homology percent 5.3 Symbols used in the alighnment charts: ' ' - average weight of column pair exchanges is less than weight matrix mean value '.' - is less than mean value plus one SD '+' - is less than mean value plus two SD '*' - is greater than mean value plus two SD .. ... SQ1 ( 48) yhtcggillnSHWVLTAAHCFKNKkkvt SQ2 ( 46) srqtfsirsiSQNGYDPRQNLNDVL--- SQ3 ( 1) ----------SRRTYTLTDYLKSTFr-- 5TH LOCAL SUPERMOTIF, power 2.51 + *.. ...

Еще в разделе: (Показать все результаты (>188) - www.genebee.msu.ru/ )

• BLAST 2.0 Release Notes
• IGLA-3D :: Global and Local Protein Matching
• GeneBee BLAST 2.2.8 Services Help

... Russian Pages . CDFE: Home Page . ... Numerical data, graphics, and bibliography . ... description] . Last updated: May 6th, 2014 . ... Last updated: June 15th, 2011 . ... Last updated: . ... Last updated: April 4th, 2015 . ... Last updated: February 25th, 2016 . ... Last updated: September 27th, 2011 . ... Photonuclear Data Index since 1955 . ... Last updated: September 15th, 2015 . ... Last updated: March 22th, 2010 . ... Last updated: March 19th, 2015 . ... Last updated: May 15th, 2002 . ...

Еще в разделе: (Показать все результаты (>76) - cdfe.sinp.msu.ru/ )

... Роджер Пэнг (љ Roger Peng) на своем youtube-канале выложил видео 4х недель своего курса ?Computing for Data Analysis? Week 1 : . ... Data Types . ... Reading/Writing Data: Part 1 . ... The ?str? function . ... Writing Functions . ... The mapply function in R . ... Using the apply function in R . ... Plotting (base graphics) . ... Plotting with lattice . ... IBM SPSS Statistics 20 и AMOS: профессиональный статистический анализ данных Самые важные научные исследования последнего десятилетия. ...

Еще в разделе: (Показать все результаты (>169) - tukachev.flogiston.ru/ )

• Category: Новости
• Tag: R