remove ambiguous access conflict to fm_exp() in pair style agni/omp after moving fm_exp() to math_special.h
This commit is contained in:
Axel Kohlmeyer
@ -29,127 +29,6 @@
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using namespace LAMMPS_NS;
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using namespace LAMMPS_NS;
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using namespace MathSpecial;
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using namespace MathSpecial;
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/*
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Copyright (c) 2012,2013 Axel Kohlmeyer <akohlmey@gmail.com>
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All rights reserved.
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Redistribution and use in source and binary forms, with or without
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modification, are permitted provided that the following conditions
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are met:
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* Redistributions of source code must retain the above copyright
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notice, this list of conditions and the following disclaimer.
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* Redistributions in binary form must reproduce the above copyright
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notice, this list of conditions and the following disclaimer in the
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documentation and/or other materials provided with the distribution.
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* Neither the name of the <organization> nor the
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names of its contributors may be used to endorse or promote products
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derived from this software without specific prior written permission.
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THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
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AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
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IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
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ARE DISCLAIMED. IN NO EVENT SHALL <COPYRIGHT HOLDER> BE LIABLE FOR ANY
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DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
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(INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
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LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
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ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
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(INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF
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THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
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*/
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/* faster versions of 2**x, e**x, and 10**x in single and double precision.
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*
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* Based on the Cephes math library 2.8
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*/
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/* internal definitions for the fastermath library */
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/* IEEE 754 double precision floating point data manipulation */
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typedef union
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{
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double f;
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uint64_t u;
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struct {int32_t i0,i1;};
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} udi_t;
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#define FM_DOUBLE_BIAS 1023
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#define FM_DOUBLE_EMASK 2146435072
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#define FM_DOUBLE_MBITS 20
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#define FM_DOUBLE_MMASK 1048575
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#define FM_DOUBLE_EZERO 1072693248
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/* generate 2**num in floating point by bitshifting */
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#define FM_DOUBLE_INIT_EXP(var,num) \
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var.i0 = 0; \
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var.i1 = (((int) num) + FM_DOUBLE_BIAS) << 20
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/* double precision constants */
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#define FM_DOUBLE_LOG2OFE 1.4426950408889634074
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#define FM_DOUBLE_LOGEOF2 6.9314718055994530942e-1
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#define FM_DOUBLE_LOG2OF10 3.32192809488736234789
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#define FM_DOUBLE_LOG10OF2 3.0102999566398119521e-1
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#define FM_DOUBLE_LOG10OFE 4.3429448190325182765e-1
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#define FM_DOUBLE_SQRT2 1.41421356237309504880
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#define FM_DOUBLE_SQRTH 0.70710678118654752440
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/* optimizer friendly implementation of exp2(x).
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*
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* strategy:
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*
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* split argument into an integer part and a fraction:
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* ipart = floor(x+0.5);
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* fpart = x - ipart;
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*
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* compute exp2(ipart) from setting the ieee754 exponent
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* compute exp2(fpart) using a pade' approximation for x in [-0.5;0.5[
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*
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* the result becomes: exp2(x) = exp2(ipart) * exp2(fpart)
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*/
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static const double fm_exp2_q[] = {
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/* 1.00000000000000000000e0, */
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2.33184211722314911771e2,
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4.36821166879210612817e3
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};
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static const double fm_exp2_p[] = {
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2.30933477057345225087e-2,
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2.02020656693165307700e1,
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1.51390680115615096133e3
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};
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static double fm_exp2(double x)
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{
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double ipart, fpart, px, qx;
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udi_t epart;
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ipart = floor(x+0.5);
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fpart = x - ipart;
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FM_DOUBLE_INIT_EXP(epart,ipart);
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x = fpart*fpart;
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px = fm_exp2_p[0];
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px = px*x + fm_exp2_p[1];
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qx = x + fm_exp2_q[0];
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px = px*x + fm_exp2_p[2];
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qx = qx*x + fm_exp2_q[1];
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px = px * fpart;
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x = 1.0 + 2.0*(px/(qx-px));
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return epart.f*x;
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}
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static double fm_exp(double x)
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{
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#if defined(__BYTE_ORDER__)
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#if __BYTE_ORDER__ == __ORDER_LITTLE_ENDIAN__
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return fm_exp2(FM_DOUBLE_LOG2OFE * (x));
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#endif
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#endif
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return exp(x);
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}
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/* ---------------------------------------------------------------------- */
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/* ---------------------------------------------------------------------- */
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PairAGNIOMP::PairAGNIOMP(LAMMPS *lmp) :
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PairAGNIOMP::PairAGNIOMP(LAMMPS *lmp) :
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