/* -*- 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(ave/time,FixAveTime)

#else

#ifndef LMP_FIX_AVE_TIME_H
#define LMP_FIX_AVE_TIME_H

#include <stdio.h>
#include "fix.h"

namespace LAMMPS_NS {

class FixAveTime : public Fix {
 public:
  FixAveTime(class LAMMPS *, int, char **);
  ~FixAveTime();
  int setmask();
  void init();
  void setup(int);
  void end_of_step();
  double compute_scalar();
  double compute_vector(int);
  double compute_array(int,int);

 private:
  int me,nvalues;
  int nrepeat,nfreq,irepeat;
  bigint nvalid,nvalid_last;
  int *which,*argindex,*value2index,*offcol;
  int *varlen;               // 1 if value is from variable-length compute
  char **ids;
  FILE *fp;
  int nrows;
  int any_variable_length;
  int all_variable_length;
  int lockforever;

  int ave,nwindow,startstep,mode;
  int noff,overwrite;
  int *offlist;
  char *format,*format_user;
  char *title1,*title2,*title3;
  long filepos;

  int norm,iwindow,window_limit;
  double *vector;
  double *vector_total;
  double **vector_list;
  double *column;
  double **array;
  double **array_total;
  double ***array_list;

  int column_length(int);
  void invoke_scalar(bigint);
  void invoke_vector(bigint);
  void options(int, int, char **);
  void allocate_arrays();
  bigint nextvalid();
};

}

#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: No values in fix ave/time command

Self-explanatory.

E: Compute ID for fix ave/time does not exist

Self-explanatory.

E: Fix ID for fix ave/time does not exist

Self-explanatory.

E: Invalid fix ave/time off column

Self-explanatory.

E: Fix ave/time compute does not calculate a scalar

Self-explanatory.

E: Fix ave/time compute does not calculate a vector

Self-explanatory.

E: Fix ave/time compute vector is accessed out-of-range

The index for the vector is out of bounds.

E: Fix ave/time compute does not calculate an array

Self-explanatory.

E: Fix ave/time compute array is accessed out-of-range

An index for the array is out of bounds.

E: Fix ave/time fix does not calculate a scalar

Self-explanatory.

E: Fix ave/time fix does not calculate a vector

Self-explanatory.

E: Fix ave/time fix vector cannot be variable length

Self-explanatory.

E: Fix ave/time fix vector is accessed out-of-range

The index for the vector is out of bounds.

E: Fix for fix ave/time not computed at compatible time

Fixes generate their values on specific timesteps.  Fix ave/time
is requesting a value on a non-allowed timestep.

E: Fix ave/time fix does not calculate an array

Self-explanatory.

E: Fix ave/time fix array cannot be variable length

Self-explanatory.

E: Fix ave/time fix array is accessed out-of-range

An index for the array is out of bounds.

E: Variable name for fix ave/time does not exist

Self-explanatory.

E: Fix ave/time variable is not equal-style variable

Self-explanatory.

E: Fix ave/time cannot use variable with vector mode

Variables produce scalar values.

E: Error writing file header

Something in the output to the file triggered an error.

E: Fix ave/time cannot set output array intensive/extensive from these inputs

One of more of the vector inputs has individual elements which are
flagged as intensive or extensive.  Such an input cannot be flagged as
all intensive/extensive when turned into an array by fix ave/time.

E: Invalid timestep reset for fix ave/time

Resetting the timestep has invalidated the sequence of timesteps this
fix needs to process.

E: Error writing out time averaged data

Something in the output to the file triggered an error.

E: Fix ave/time columns are inconsistent lengths

Self-explanatory.

E: Cannot open fix ave/time file %s

The specified file cannot be opened.  Check that the path and name are
correct.

*/
