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10f2621 | 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 | /**
* @file vunit.h
* @ingroup Vunit
* @author Nathan Baker
* @brief Contains a collection of useful constants and conversion factors
* @author Nathan A. Baker
* @version $Id$
*
* @attention
* @verbatim
*
* APBS -- Adaptive Poisson-Boltzmann Solver
*
* Nathan A. Baker (nathan.baker@pnnl.gov)
* Pacific Northwest National Laboratory
*
* Additional contributing authors listed in the code documentation.
*
* Copyright (c) 2010-2020 Battelle Memorial Institute. Developed at the
* Pacific Northwest National Laboratory, operated by Battelle Memorial
* Institute, Pacific Northwest Division for the U.S. Department of Energy.
*
* Portions Copyright (c) 2002-2010, Washington University in St. Louis.
* Portions Copyright (c) 2002-2010, Nathan A. Baker.
* Portions Copyright (c) 1999-2002, The Regents of the University of
* California.
* Portions Copyright (c) 1995, Michael Holst.
* All rights reserved.
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer.
*
* Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
*
* Neither the name of the developer nor the names of its contributors may be
* used to endorse or promote products derived from this software without
* specific prior written permission.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
* AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
* IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
* ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE
* LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR
* CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF
* SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS
* INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN
* CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE)
* ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF
* THE POSSIBILITY OF SUCH DAMAGE.
*
* @endverbatim
*/
/** @defgroup Vunit Vunit class
* @brief Collection of constants and conversion factors
*/
#ifndef _VUNIT_H_
#define _VUNIT_H_
/** @brief Multiply by this to convert J to cal
* @ingroup Vunit */
#define Vunit_J_to_cal 4.1840000e+00
/** @brief Multiply by this to convert cal to J
* @ingroup Vunit */
#define Vunit_cal_to_J 2.3900574e-01
/** @brief Multiply by this to convert amu to kg
* @ingroup Vunit */
#define Vunit_amu_to_kg 1.6605402e-27
/** @brief Multiply by this to convert kg to amu
* @ingroup Vunit */
#define Vunit_kg_to_amu 6.0221367e+26
/** @brief Multiply by this to convert ec to C
* @ingroup Vunit */
#define Vunit_ec_to_C 1.6021773e-19
/** @brief Multiply by this to convert C to ec
* @ingroup Vunit */
#define Vunit_C_to_ec 6.2415065e+18
/** @brief Charge of an electron in C
* @ingroup Vunit */
#define Vunit_ec 1.6021773e-19
/** @brief Boltzmann constant
* @ingroup Vunit */
#define Vunit_kb 1.3806581e-23
/** @brief Avogadro's number
* @ingroup Vunit */
#define Vunit_Na 6.0221367e+23
/** @brief Pi
* @ingroup Vunit */
#define Vunit_pi VPI
/** @brief Vacuum permittivity
* @ingroup Vunit */
#define Vunit_eps0 8.8541878e-12
/** @brief \f${e_c}^2/\AA\f$ in ESU units => kcal/mol
* @ingroup Vunit */
#define Vunit_esu_ec2A 3.3206364e+02
/** @brief \f$k_b\f$ in ESU units => kcal/mol
* @ingroup Vunit */
#define Vunit_esu_kb 1.9871913e-03
#endif /* ifndef _VUNIT_H_ */
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