initial import of adapted gREM code by David Stelter and Edyta Malolepsza
The following changes were made: - the modifications to compute pressure were transferred to a derived class compute pressure/grem - fix scaleforce was renamed to fix grem - identifying the grem fix was simplified as fix grem passes an additional argument to compute pressure/grem - dead code was removed in both files - checking of arguments was tightened
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@ -28,9 +28,9 @@ class ComputePressure : public Compute {
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public:
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ComputePressure(class LAMMPS *, int, char **);
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virtual ~ComputePressure();
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void init();
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double compute_scalar();
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void compute_vector();
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virtual void init();
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virtual double compute_scalar();
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virtual void compute_vector();
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void reset_extra_compute_fix(const char *);
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protected:
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