Exciplexes on INTERNET . http://www.syp.toppan.co.jp:8082/6606/N5019/KEN5019M01.html . ... last fetched: 02-Jun-95 . bytes: 24034 . ... bytes: 7133 . ... outline: Computational Chemistry Research Computer Programs: Send a message. keys: exciplex . excerpt: Don Truhlar's Home Page Computational Chemistry Research Research Program Summary: Our research group is carrying out theoretical and computational studies of chemical reaction dynamics, molecular energy transfer, and molecular modeling. ...
... 100% . ... Intel Quad-core Core 2 Quadro QX-6700 (Kentsfield) 2.67 GHz, 1067 MHz FSB, Asus P5B (Vanilla) board, 4x 1GB DDR-2 800 5-5-5 DIMMs, 2x Seagate Barracuda-10 320 GB SATA HDDs configured as software RAID-0, Opensuse 10.2 64-bit. Test 1 , single-point direct DFT (B3LYP) energy plus gradient for medium-size system (623 basis functions). ... Note that test 2 does not scale well mainly due to limitations of the PC GAMESS' semiempirical code, while test 4 would scale much better for larger job. ...
Brain Research Group >> Research >> Change-point analysis ... << previous next >> . ... When detection of the change-points in alpha band power was performed as in the previous subsection, more than one change-point per second was obtained in average. ... The hypothesis of the hierarchy of EEG segmental descriptions (Kaplan 1998) (see subsection 7.3.2) is a theoretical reason for introducing the adjustment of the change-point detection probability. ...
install ]] . ... Installation of a user directory . ... Below, we use the following notations: XXXX - CompHEP version number; comphep-XXXX - directory where CompHEP files will live; comphep-XXXX.tgz - distributive tar-file with sources; comphep-XXXX-linux.tgz - distributive tar-file with binaries; . ... The directory with name comphep-XXXX will be created with all files of CompHEP distributive. ... In order to create a user working directory execute: make setup WDIR=path_to_user_work_directory . ...
... Like ordinary make, metamake keeps platform-dependent files (object, executables, libraries) for repeated usage. To use the metamake, one must define basic project directories (task directory, target root, object directory etc) and prepare two simple files: task-file that contains common project settings (selected compilers, common system libraries etc) and architecture- independent Imake-file which includes project description along with compiler and linker directives. ...
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Ссылки http://acat02.sinp.msu.ru/presentations/huhlaev/Metamake.doc -- 136.0 Кб -- 15.07.2002 Похожие документы
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