Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F67493754
compute_reduce.h
No One
Temporary
Actions
Download File
Edit File
Delete File
View Transforms
Subscribe
Mute Notifications
Award Token
Subscribers
None
File Metadata
Details
File Info
Storage
Attached
Created
Sat, Jun 22, 17:48
Size
3 KB
Mime Type
text/x-c
Expires
Mon, Jun 24, 17:48 (1 d, 23 h)
Engine
blob
Format
Raw Data
Handle
18380933
Attached To
rLAMMPS lammps
compute_reduce.h
View Options
/* ----------------------------------------------------------------------
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
Self-explanatory.
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
Self-explanatory.
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 sum is
requesting a value on a non-allowed timestep.
*/
Event Timeline
Log In to Comment