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  • Deprecated function: Constant PDO::MYSQL_ATTR_USE_BUFFERED_QUERY is deprecated since 8.5, use Pdo\Mysql::ATTR_USE_BUFFERED_QUERY instead in DatabaseConnection_mysql->__construct() (line 332 of /var/www/html/includes/database/mysql/database.inc).
  • Deprecated function: Constant PDO::MYSQL_ATTR_MULTI_STATEMENTS is deprecated since 8.5, use Pdo\Mysql::ATTR_MULTI_STATEMENTS instead in DatabaseConnection_mysql->__construct() (line 339 of /var/www/html/includes/database/mysql/database.inc).

June 2015

Video on DFT

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Submitted by admin on Tue, 06/02/2015 - 17:30

Check out this blog youtube video by Jack Simons on Electronic Structure Theory.

DFT Video

Visit from Dr. Reveles

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Dr. Uilses Reveles, associate professor from Virginia Commonwealth University in Richmod VA and research collaborator, visited the electronic structure lab from June 24 to 26, 2015.

Testing the "sparse" code from the git repository

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Submitted by admin on Fri, 06/26/2015 - 17:29

In order to obtain a copy of the NRLMOL code that uses sparse representation follow these steps: