reformat to closer match LAMMPS programming style
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@ -43,28 +43,19 @@ class FixPlumed : public Fix {
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double compute_scalar();
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private:
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// pointer to plumed object:
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PLMD::Plumed *p;
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// number of atoms local to this process:
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int nlocal;
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// array of atom indexes local to this process:
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int *gatindex;
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// array of masses for local atoms:
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double *masses;
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// array of charges for local atoms:
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double *charges;
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// this is something to enable respa
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int nlevels_respa;
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// output bias potential
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double bias;
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// Compute for the energy
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class Compute *c_pe;
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// Compute for the pressure
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class Compute *c_press;
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// Flag to trigger calculation of the energy and virial
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int plumedNeedsEnergy;
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// ID for potential energy and pressure compute
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char *id_pe, *id_press;
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PLMD::Plumed *p; // pointer to plumed object
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int nlocal; // number of atoms local to this process
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int *gatindex; // array of atom indexes local to this process
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double *masses; // array of masses for local atoms
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double *charges; // array of charges for local atoms
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int nlevels_respa; // this is something to enable respa
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double bias; // output bias potential
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class Compute *c_pe; // Compute for the energy
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class Compute *c_press; // Compute for the pressure
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int plumedNeedsEnergy; // Flag to trigger calculation of the
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// energy and virial
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char *id_pe, *id_press; // ID for potential energy and pressure compute
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};
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};
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