/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator http://lammps.sandia.gov, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains certain rights in this software. This software is distributed under the GNU General Public License. See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ #ifdef COMPUTE_CLASS ComputeStyle(reduce,ComputeReduce) #else #ifndef LMP_COMPUTE_REDUCE_H #define LMP_COMPUTE_REDUCE_H #include "compute.h" namespace LAMMPS_NS { class ComputeReduce : public Compute { public: ComputeReduce(class LAMMPS *, int, char **); virtual ~ComputeReduce(); void init(); double compute_scalar(); void compute_vector(); double memory_usage(); protected: int me; int mode,nvalues,iregion; int *which,*argindex,*flavor,*value2index; char **ids; double *onevec; int *replace,*indices,*owner; int index; char *idregion; int maxatom; double *varatom; struct Pair { double value; int proc; }; Pair pairme,pairall; virtual double compute_one(int, int); virtual bigint count(int); void combine(double &, double, int); }; } #endif #endif /* ERROR/WARNING messages: E: Illegal ... command Self-explanatory. Check the input script syntax and compare to the documentation for the command. You can use -echo screen as a command-line option when running LAMMPS to see the offending line. E: Region ID for compute reduce/region does not exist Self-explanatory. E: Compute reduce replace requires min or max mode Self-explanatory. E: Invalid replace values in compute reduce Self-explanatory. E: Compute ID for compute reduce does not exist Self-explanatory. E: Compute reduce compute does not calculate a per-atom vector Self-explanatory. E: Compute reduce compute does not calculate a per-atom array Self-explanatory. E: Compute reduce compute array is accessed out-of-range An index for the array is out of bounds. E: Compute reduce compute does not calculate a local vector Self-explanatory. E: Compute reduce compute does not calculate a local array Self-explanatory. E: Compute reduce compute calculates global values A compute that calculates peratom or local values is required. E: Fix ID for compute reduce does not exist Self-explanatory. E: Compute reduce fix does not calculate a per-atom vector Self-explanatory. E: Compute reduce fix does not calculate a per-atom array Self-explanatory. E: Compute reduce fix array is accessed out-of-range An index for the array is out of bounds. E: Compute reduce fix does not calculate a local vector Self-explanatory. E: Compute reduce fix does not calculate a local array Self-explanatory. E: Compute reduce fix calculates global values A fix that calculates peratom or local values is required. E: Variable name for compute reduce does not exist Self-explanatory. E: Compute reduce variable is not atom-style variable Self-explanatory. E: Fix used in compute reduce not computed at compatible time Fixes generate their values on specific timesteps. Compute reduce is requesting a value on a non-allowed timestep. */