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Revision 1 as of 2013-10-17 01:19:03

location: genfrag

genfrag

Contents

  1. genfrag
    1. General keywords
      1. optfrag
      2. decfrag
    2. Expert keywords
      1. noenergy
      2. optfrag
  2. Depend Files
  3. Examples
  4. Insert latex

Module genfrag is used to generate molecular fragments and also fragment pairs that are used in Frag-MP2/CCSD calculation.

General keywords

optfrag

decfrag

Expert keywords

noenergy

optfrag

xxx

Depend Files

Filename

Description

Format

Examples

Insert latex

You can insert latex formula as

\begin{equation} \rho_{\mu}=\sum_i w_i*\chi_{\mu}(r_i)\chi_{\mu}(r_i) \end{equation}

You can also insert a latex formular inline