nmr

===

Implementation level
Type Status
CML extraction template image0
HTML5 representation image1
Template attributes
Attribute Value
source ADF log
id nmr
name NMR module
pattern s+*s+|s+NsMsRs+|s+*.*
endPattern \s*Ns+Ms+Rs+Es+Xs+Is+Ts*
endPattern2 ~
offset -10
endOffset 1
repeat *
xml:base nmr/nmr.xml

Comment.

 *******************************************************************************
 *                                                                             *
 *  -------------------------------------                                      *
 *   Amsterdam Density Functional  (ADF)         2009.01   September 29th, 2009*
 *  -------------------------------------                                      *
 *                                               Build 200912192153            *
 *                                                                             *
 *                                                                             *
 *                              =================                              *
 *                              |               |                              *
 *                              |     N M R     |                              *
 *                              |               |                              *
 *                              =================                              *
 *                                                                             *
 *                                                                             *
 *   Online information and documentation:  http://www.scm.com                 *
 *   E-mail:  support@scm.com   info@scm.com                                   *
 *                                                                             *
 *   Scientific publications using ADF results must be properly referenced     *
 *   See the User Manuals (or the web site) for recommended citations          *
 *   The terms and conditions of the End User License Agreement apply to       *
 *   the use of ADF, http://www.scm.com/Sales/LicAgreement.html                *
 *                                                                             *
 *************************  pentium64_linux / hpmpi  ***************************

 NMR 2009.01  RunTime: Sep20-2011 16:34:49

...
               NUCLEAR COORDINATES (ANGSTROMS):
                 --------------------------------

                 C  (  1):       4.7284      2.1304      0.0000
                 O  (  2):       3.3981      2.6699      0.0000
                 O  (  3):       1.6678     -2.3615      2.9062
...


 *******************************************************************************

                             N M R   E X I T

Template definition.

<templateList>  <xi:include href="nmr/../program.header.xml" />  <xi:include href="nmr/nuclear.coordinates.xml" />  <xi:include href="nmr/nucleus.xml" />
    </templateList>