diff --git a/src/USER-PLUMED/fix_plumed.h b/src/USER-PLUMED/fix_plumed.h index 55671f7c9bd2821f766c551f8396bf3da8cbbc7b..bc1d5af034cc4688eacb868e0500840e0b433742 100644 --- a/src/USER-PLUMED/fix_plumed.h +++ b/src/USER-PLUMED/fix_plumed.h @@ -43,28 +43,19 @@ class FixPlumed : public Fix { double compute_scalar(); private: -// pointer to plumed object: - PLMD::Plumed *p; -// number of atoms local to this process: - int nlocal; -// array of atom indexes local to this process: - int *gatindex; -// array of masses for local atoms: - double *masses; -// array of charges for local atoms: - double *charges; -// this is something to enable respa - int nlevels_respa; -// output bias potential - double bias; -// Compute for the energy - class Compute *c_pe; -// Compute for the pressure - class Compute *c_press; -// Flag to trigger calculation of the energy and virial - int plumedNeedsEnergy; -// ID for potential energy and pressure compute - char *id_pe, *id_press; + + PLMD::Plumed *p; // pointer to plumed object + int nlocal; // number of atoms local to this process + int *gatindex; // array of atom indexes local to this process + double *masses; // array of masses for local atoms + double *charges; // array of charges for local atoms + int nlevels_respa; // this is something to enable respa + double bias; // output bias potential + class Compute *c_pe; // Compute for the energy + class Compute *c_press; // Compute for the pressure + int plumedNeedsEnergy; // Flag to trigger calculation of the + // energy and virial + char *id_pe, *id_press; // ID for potential energy and pressure compute }; };