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?