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| 2 Copy the directory "newmodule" into BDF source code directory $BDFHOME/source. | 2 Copy the directory "newmodule" into BDF source code directory $BDFHOME/source and add it to svn version control by "svn add newmodule". |
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| 8 Goto directory "$BDFHOME", run command "autoconf" to generate new configure file. | 8 Goto directory "$BDFHOME" and run command "autoconf" to generate new configure file. |
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== General keywords == === Keyword1 === {{{#!wiki xxx }}} === Keyword2 === {{{#!wiki xxx }}} == Expert keywords == === Keyword3 === {{{#!wiki xxx }}} === Keyword4 === {{{#!wiki xxx }}} = Depend Files = || Filename || Description || Format || || || || || = Examples = = Insert latex = You can insert latex formula as {{{#!latex \begin{equation} \rho_{\mu}=\sum_i w_i*\chi_{\mu}(r_i)\chi_{\mu}(r_i) \end{equation} }}} You can also insert a latex formular inline The basis is <<latex($\chi_{\mu}$)>> |
After add module and generate new configure file, you can configure BDF package and compile BDF to check if your module is compiled correctly. |
Add new a module into BDF package
Contents
Add a new module into BDF package takes several steps.
1 Prepare you source codes and store it in a directory named "newmodule" .
2 Copy the directory "newmodule" into BDF source code directory $BDFHOME/source and add it to svn version control by "svn add newmodule".
3 Copy a Makefile from any BDF module directory to "newmodule" to compile and link you program.
4 If you program is linked correctly, you will have a executable file name "newmodule.x" in the directory $BDFHOME/bin.
5 Append a line with the content "newmodule" into the file "$BDFHOME/database/program.dat". This file defines all available BDF modules which will be executed by BDF driver.
6 Edit the file "$BDFHOME/database/xianest.mh". Add your module name "newmodule "into variable PRGLIST.
- PRGLIST = dpdmrpt2 compass xuanyuan mcscf ... newmode
7 Edit the file "$BDFHOME/configure.in", add you module name "newmodule" into variable "xianlistf"
- xianlistf = "class module compass sys_util ... newmodule"
8 Goto directory "$BDFHOME" and run command "autoconf" to generate new configure file.
After add module and generate new configure file, you can configure BDF package and compile BDF to check if your module is compiled correctly.