/usr/include/liggghts/compute_reduce.h is in libliggghts-dev 2.3.8-1build1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 | /* ----------------------------------------------------------------------
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.
*/
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