lammps-sys 0.6.0

/*
Voro++ Copyright (c) 2008, The Regents of the University of California, through
Lawrence Berkeley National Laboratory (subject to receipt of any required
approvals from the U.S. Dept. of Energy). All rights reserved.

Redistribution and use in source and binary forms, with or without
modification, are permitted provided that the following conditions are met:

(1) Redistributions of source code must retain the above copyright notice, this
list of conditions and the following disclaimer.

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this list of conditions and the following disclaimer in the documentation
and/or other materials provided with the distribution.

(3) Neither the name of the University of California, Lawrence Berkeley
National Laboratory, U.S. Dept. of Energy nor the names of its contributors may
be used to endorse or promote products derived from this software without
specific prior written permission.

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You are under no obligation whatsoever to provide any bug fixes, patches, or
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("Enhancements") to anyone; however, if you choose to make your Enhancements
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*/


// Voro++, a 3D cell-based Voronoi library
//
// Author   : Chris H. Rycroft (LBL / UC Berkeley)
// Email    : chr@alum.mit.edu
// Date     : August 30th 2011
//
// Modified by PM Larsen for use in Polyhedral Template Matching

/** \file config.hh
 * \brief Master configuration file for setting various compile-time options. */

#ifndef PTM_VOROPP_CONFIG_HH
#define PTM_VOROPP_CONFIG_HH

namespace ptm_voro {

// These constants set the initial memory allocation for the Voronoi cell
/** The initial memory allocation for the number of vertices. */
const int init_vertices=256;
/** The initial memory allocation for the maximum vertex order. */
const int init_vertex_order=64;
/** The initial memory allocation for the number of regular vertices of order
 * 3. */
const int init_3_vertices=256;
/** The initial memory allocation for the number of vertices of higher order.
 */
const int init_n_vertices=8;
/** The initial buffer size for marginal cases used by the suretest class. */
const int init_marginal=64;
/** The initial size for the delete stack. */
const int init_delete_size=256;
/** The initial size for the auxiliary delete stack. */
const int init_delete2_size=256;
/** The initial size for the wall pointer array. */
const int init_wall_size=32;
/** The default initial size for the ordering class. */
const int init_ordering_size=4096;
/** The initial size of the pre_container chunk index. */
const int init_chunk_size=256;

// If the initial memory is too small, the program dynamically allocates more.
// However, if the limits below are reached, then the program bails out.
/** The maximum memory allocation for the number of vertices. */
const int max_vertices=16777216;
/** The maximum memory allocation for the maximum vertex order. */
const int max_vertex_order=2048;
/** The maximum memory allocation for the any particular order of vertex. */
const int max_n_vertices=16777216;
/** The maximum buffer size for marginal cases used by the suretest class. */
const int max_marginal=16777216;
/** The maximum size for the delete stack. */
const int max_delete_size=16777216;
/** The maximum size for the auxiliary delete stack. */
const int max_delete2_size=16777216;
/** The maximum amount of particle memory allocated for a single region. */
const int max_particle_memory=16777216;
/** The maximum size for the wall pointer array. */
const int max_wall_size=2048;
/** The maximum size for the ordering class. */
const int max_ordering_size=67108864;
/** The maximum size for the pre_container chunk index. */
const int max_chunk_size=65536;

/** The chunk size in the pre_container classes. */
const int pre_container_chunk_size=1024;

#ifndef VOROPP_VERBOSE
/** Voro++ can print a number of different status and debugging messages to
 * notify the user of special behavior, and this macro sets the amount which
 * are displayed. At level 0, no messages are printed. At level 1, messages
 * about unusual cases during cell construction are printed, such as when the
 * plane routine bails out due to floating point problems. At level 2, general
 * messages about memory expansion are printed. At level 3, technical details
 * about memory management are printed. */
#define VOROPP_VERBOSE 0
#endif

/** If a point is within this distance of a cutting plane, then the code
 * assumes that point exactly lies on the plane. */
const double tolerance=1e-11;

/** If a point is within this distance of a cutting plane, then the code stores
 * whether this point is inside, outside, or exactly on the cutting plane in
 * the marginal cases buffer, to prevent the test giving a different result on
 * a subsequent evaluation due to floating point rounding errors. */
const double tolerance2=2e-11;

/** The square of the tolerance, used when deciding whether some squared
 * quantities are large enough to be used. */
const double tolerance_sq=tolerance*tolerance;

/** A large number that is used in the computation. */
const double large_number=1e30;

/** A radius to use as a placeholder when no other information is available. */
const double default_radius=0.5;

/** The maximum number of shells of periodic images to test over. */
const int max_unit_voro_shells=10;

/** A guess for the optimal number of particles per block, used to set up the
 * container grid. */
const double optimal_particles=5.6;

/** If this is set to 1, then the code reports any instances of particles being
 * put outside of the container geometry. */
#define VOROPP_REPORT_OUT_OF_BOUNDS 0

/** Voro++ returns this status code if there is a file-related error, such as
 * not being able to open file. */
#define VOROPP_FILE_ERROR 1

/** Voro++ returns this status code if there is a memory allocation error, if
 * one of the safe memory limits is exceeded. */
#define VOROPP_MEMORY_ERROR 2

/** Voro++ returns this status code if there is any type of internal error, if
 * it detects that representation of the Voronoi cell is inconsistent. This
 * status code will generally indicate a bug, and the developer should be
 * contacted. */
#define VOROPP_INTERNAL_ERROR 3

/** Voro++ returns this status code if it could not interpret the command line
 * arguments passed to the command line utility. */
#define VOROPP_CMD_LINE_ERROR 4

}

#endif