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[ESPResSo] Question about compilation


From: Salvador Herrera Velarde
Subject: [ESPResSo] Question about compilation
Date: Fri, 14 Aug 2009 16:54:26 -0400

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






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