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1	Exploring Tuning Strategies for Quantum Chemistry Computations Lakshminarasimhan Seshagiri1 , Meng-Shiou Wu1 , Masha Sosonkina1 , and Zhao Zhang2 1 Add to Reading List Source URL: iwapt.org Language: English - Date: 2009-08-04 11:55:57 GAMESS Theoretical chemistry Scalability Quantum chemistry Computing Computer engineering
2	User’s Guide and Developer’s Manual Preview July 27, 2016 Online: https://svn.qmcpack.org/svn/trunk/manual/qmcpack_manual.pdf Contents 1 Introduction Add to Reading List Source URL: svn.qmcpack.org Language: English - Date: 2016-07-27 17:01:04 Chemistry Quantum chemistry Computational chemistry Theoretical chemistry Computational physics Quantum Monte Carlo Variational Monte Carlo Ab initio quantum chemistry methods David Ceperley Monte Carlo method Jellium GAMESS
3	Lakshminarasimhan Seshagiri, Meng‐Shiou Wu, Masha Sosonkina  Ames Laboratory , Ames, IA 50011  Zhao Zhang  Iowa State University, Ames, IA 50011  * This work was supporte Add to Reading List Source URL: iwapt.org Language: English - Date: 2009-10-15 20:01:42 Computational chemistry GAMESS Theoretical chemistry MOLPRO NWChem Firefly Fragment molecular orbital
4	ADVANCES IN ELECTRONIC STRUCTURE THEORY: GAMESS A DECADE LATER MARK S. GORDON AND MICHAEL W. SCHMIDT DEPARTMENT OF CHEMISTRY AND AMES LABORATORY, IOWA STATE UNIVERSITY, AMES, IA 50011 Add to Reading List Source URL: www.msg.ameslab.gov Language: English - Date: 2013-11-12 12:28:35 Quantum chemistry Computational chemistry Theoretical chemistry Multi-configurational self-consistent field Electronic correlation GAMESS Complete active space Coupled cluster MOLCAS Configuration interaction Ab initio quantum chemistry methods NWChem
5	1 ****************************************************** * GAMESS VERSION = 6 MAY 1998 * Add to Reading List Source URL: www.msg.ameslab.gov Language: English - Date: 2013-11-12 12:31:45 Chemistry Nature Quantum chemistry Chemical bonding Theoretical chemistry Computational chemistry Atomic physics Atomic orbital Basis set Integral Molecular orbital CPU time
6	AN INTRODUCTION TO GAMESS See: www.msg.chem.iastate.edu GAMESS Add to Reading List Source URL: www.msg.ameslab.gov Language: English - Date: 2015-03-03 15:53:44 Chemistry Computational chemistry GAMESS Post-HartreeFock methods Fragment molecular orbital Theoretical chemistry Quantum chemistry Ab initio quantum chemistry methods Coupled cluster PQS MOLCAS
7	Codes that contributors wish to put into GAMESS must adhere to FORTRAN standards, so that they can be compiled on commonly used computer hardware and software, before they are accepted into the git repository and eventua Add to Reading List Source URL: www.msg.chem.iastate.edu - Date: 2013-11-12 12:32:16
8	ADVANCES IN ELECTRONIC STRUCTURE THEORY: GAMESS A DECADE LATER MARK S. GORDON AND MICHAEL W. SCHMIDT DEPARTMENT OF CHEMISTRY AND AMES LABORATORY, IOWA STATE UNIVERSITY, AMES, IA 50011 Add to Reading List Source URL: www.msg.ameslab.gov Language: English - Date: 2013-11-12 12:28:35
9	1 ****************************************************** * GAMESS VERSION = 6 MAY 1998 * Add to Reading List Source URL: www.msg.ameslab.gov Language: English - Date: 2013-11-12 12:31:45
10	Doxygen Rules This document lays out the procedures and rules for properly documenting your code using Doxygen. Basic use of Doxygen Tags The Doxygen comment block goes under the MODULE/DECK line in GAMESS, but before th Add to Reading List Source URL: www.msg.chem.iastate.edu Language: English - Date: 2013-11-12 12:32:16

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