[ESPResSo-users] question: defining dipole in Espresso

[Sarah MohammadiNejad]

Dear users and developers,

Hello

I am going to define a particle with dipole moment in ESPResSo. I have added the features "DIPOLE", "MAGNETOSTATICS", "ROTATION" to the config file "myconfig.h" and then compile it by make, but when I define the particle in my code as:

part $kk  pos  $x  $y  $z  type  1  q   0.  dip $dx  $dy  $dz

and run the code, it stops with this error:

unknown particle parameter "dip"

To check if the features are added correctly or not I used code_info and surprisingly the result shows:

ESPResSo: 2.2.0b, Last Change: July 25th, 2010
{ Compilation status { MPI fake } { FFTW3 } { PARTIAL_PERIODIC } { ELECTROSTATICS } { MASS } { EXTERNAL_FORCES } { CONSTRAINTS } { EXCLUSIONS } { COMFORCE } { COMFIXED } { TABULATED } { LENNARD_JONES } { LENNARD_JONES_GENERIC } { MORSE } { BUCKINGHAM } { SOFT_SPHERE } { LJCOS } { LJCOS2 } { BOND_ANGLE_COSINE } { NPT } }
{ Debug status { MPI_CORE FORCE_CORE } }

which means the features are not added correctly!

Would you please guide me if I am doing wrong.

Thanks in advance,

Sarah

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