/* -*- 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 FIX_CLASS FixStyle(vector,FixVector) #else #ifndef LMP_FIX_VECTOR_H #define LMP_FIX_VECTOR_H #include "fix.h" namespace LAMMPS_NS { class FixVector : public Fix { public: FixVector(class LAMMPS *, int, char **); ~FixVector(); int setmask(); void init(); void setup(int); void end_of_step(); double compute_vector(int); double compute_array(int,int); private: int nvalues; int *which,*argindex,*value2index; char **ids; bigint nextstep,initialstep; int ncount; // # of values currently in growing vector or array int ncountmax; // max # of values vector/array can hold double *vector; double **array; }; } #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: Compute ID for fix vector does not exist Self-explanatory. E: Fix vector compute does not calculate a scalar Self-explanatory. E: Fix vector compute does not calculate a vector Self-explanatory. E: Fix vector compute vector is accessed out-of-range Self-explanatory. E: Fix ID for fix vector does not exist Self-explanatory. E: Fix vector fix does not calculate a scalar Self-explanatory. E: Fix vector fix does not calculate a vector Self-explanatory. E: Fix vector fix vector is accessed out-of-range Self-explanatory. E: Fix for fix vector not computed at compatible time Fixes generate their values on specific timesteps. Fix vector is requesting a value on a non-allowed timestep. E: Variable name for fix vector does not exist Self-explanatory. E: Fix vector variable is not equal-style variable Self-explanatory. E: Fix vector cannot set output array intensive/extensive from these inputs The inputs to the command have conflicting intensive/extensive attributes. You need to use more than one fix vector command. E: Overflow of allocated fix vector storage This should not normally happen if the fix correctly calculated how long the vector will grow to. Contact the developers. */