Re: [ESPResSo] Question about compilation

[Ahmad A. J. Agung]

Hi,

FMIIW, I think the file $built_directory/config/myconfig.h is just a simply copied file from $source_directory/config/myconfig-default.h.in, containing the default feature of Espresso. You may prove it by modify the content of file $source_directory/config/myconfig-default.h.in with ANYTHING you want (copy the original file to another file name), then compile Espresso with your own "myconfig.h" in $built_directory.

To see whether your modification of $source_directory/config/myconfig-default.h.in will affect the simulation result, you can compare the simulation result before and after you do this modification. I think the result will be same as long you use the same "myconfig.h" file in $built_directory.


Best Regards,
Agung


----------------------------------------------------------------------

Message: 1
Date: Fri, 14 Aug 2009 16:54:26 -0400
From: Salvador Herrera Velarde <address@hidden>
Subject: [ESPResSo] Question about compilation
To: address@hidden
Message-ID: <address@hidden>
Content-Type: text/plain; charset="us-ascii"

Hi,

I was running some simulations using the angle potential: Bond_Angle_Cosine, then I decided to
run some simulations using the Bond_Angle_Cossquare, so I just recompile ESPResSO with
this feature activated,
/* Note: Activate ONLY ONE bonded angle potential out of the following! */
/* #define BOND_ANGLE_HARMONIC */
/* #define BOND_ANGLE_COSINE */
#define BOND_ANGLE_COSSQUARE

However, in my built directory in the folder config ($built_directory/config/) in the header configuration file generated by ESPResSO appears the following lines:
/* potentials */
#define TABULATED
#define LENNARD_JONES
#define LENNARD_JONES_GENERIC
#define MORSE
#define LJCOS
#define LJCOS2
#define BUCKINGHAM
#define SOFT_SPHERE
#define BOND_ANGLE_COSINE  -----> It is not the Bond_ANGLE_COSSQUARE

Is this ok?  ie.,  It is ESPResSO working  with the activated Bond_Angle_COSSQUARE ?
I recompile twice with the same result!  Anyone coul help me to understand?

Thanks a lot,

Salvador







-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://fias.uni-frankfurt.de/pipermail/espresso/attachments/20090814/60acb251/attachment-0001.htm

------------------------------

_______________________________________________
ESPResSo mailing list
address@hidden
https://fias.uni-frankfurt.de/mailman/listinfo/espresso


End of ESPResSo Digest, Vol 27, Issue 3
***************************************