ad few more manual updates of outdated, mistyped or no longer available URLs
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@ -14,7 +14,7 @@
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/* ----------------------------------------------------------------------
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Contributing authors: Naveen Michaud-Agrawal (Johns Hopkins U)
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open-source XDR routines from
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Frans van Hoesel (http://md.chem.rug.nl/hoesel)
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Frans van Hoesel (https://www.rug.nl/staff/f.h.j.van.hoesel/)
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are included in this file
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Axel Kohlmeyer (Temple U)
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port to platforms without XDR support
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@ -16,7 +16,7 @@
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This source file implements the asymmetric version of the enhanced heat
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exchange (eHEX/a) algorithm. The paper is available for download on
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arXiv: http://arxiv.org/pdf/1507.07081.pdf.
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arXiv: https://arxiv.org/pdf/1507.07081.pdf.
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This file is based on fix_heat.cpp written by Paul Crozier (SNL)
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which implements the heat exchange (HEX) algorithm.
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@ -457,7 +457,7 @@ void DynamicalMatrix::dynmat_clear(double **dynmat)
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void DynamicalMatrix::convert_units(const char *style)
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{
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// physical constants from:
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// http://physics.nist.gov/cuu/Constants/Table/allascii.txt
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// https://physics.nist.gov/cuu/Constants/Table/allascii.txt
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// using thermochemical calorie = 4.184 J
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if (strcmp(style,"lj") == 0) {
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@ -451,7 +451,7 @@ void ThirdOrder::force_clear()
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void ThirdOrder::convert_units(const char *style)
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{
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// physical constants from:
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// http://physics.nist.gov/cuu/Constants/Table/allascii.txt
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// https://physics.nist.gov/cuu/Constants/Table/allascii.txt
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// using thermochemical calorie = 4.184 J
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if (strcmp(style,"lj") == 0) {
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@ -517,7 +517,7 @@ double PairTriSurf::memory_usage() {
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% The algorithm is based on
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% "David Eberly, 'Distance Between Point and Triangle in 3D',
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% Geometric Tools, LLC, (1999)"
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% http:\\www.geometrictools.com/Documentation/DistancePoint3Triangle3.pdf
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% https://www.geometrictools.com/Documentation/DistancePoint3Triangle3.pdf
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%
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% ^t
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% \ |
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@ -739,7 +739,7 @@ double PairTriSurf::memory_usage() {
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* % The algorithm is based on
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% "David Eberly, 'Distance Between Point and Triangle in 3D',
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% Geometric Tools, LLC, (1999)"
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% http:\\www.geometrictools.com/Documentation/DistancePoint3Triangle3.pdf
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% https://www.geometrictools.com/Documentation/DistancePoint3Triangle3.pdf
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*/
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void PairTriSurf::PointTriangleDistance(const Vector3d sourcePosition, const Vector3d TRI0, const Vector3d TRI1,
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@ -15,11 +15,11 @@
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This class contains functions to calculate the evolution of the periodic
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simulation box under elongational flow as described by Matthew Dobson
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in the arXiv preprint at http://arxiv.org/abs/1408.7078
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in the arXiv preprint at https://arxiv.org/abs/1408.7078
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Additionally, there are methods to do a lattice reduction to further
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reduce the simulation box using the method of Igor Semaev at
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http://link.springer.com/chapter/10.1007%2F3-540-44670-2_13
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https://link.springer.com/chapter/10.1007%2F3-540-44670-2_13
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*/
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#include <cmath>
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@ -418,10 +418,9 @@ void KSpace::lamda2xvector(double *lamda, double *v)
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/* ----------------------------------------------------------------------
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convert a sphere in box coords to an ellipsoid in lamda (0-1)
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coords and return the tight (axis-aligned) bounding box, does not
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preserve vector magnitude
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see http://www.loria.fr/~shornus/ellipsoid-bbox.html and
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http://yiningkarlli.blogspot.com/2013/02/
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bounding-boxes-for-ellipsoidsfigure.html
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preserve vector magnitude see:
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http://www.loria.fr/~shornus/ellipsoid-bbox.html (no longer online) and
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https://yiningkarlli.blogspot.com/2013/02/bounding-boxes-for-ellipsoidsfigure.html
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------------------------------------------------------------------------- */
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void KSpace::kspacebbox(double r, double *b)
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@ -453,7 +453,7 @@ void inertia_line(double length, double theta, double mass, double *inertia)
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/* ----------------------------------------------------------------------
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compute space-frame inertia tensor of a triangle
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v0,v1,v2 = 3 vertices of triangle
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from http://en.wikipedia.org/wiki/Inertia_tensor_of_triangle
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from https://en.wikipedia.org/wiki/List_of_moments_of_inertia
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inertia tensor = a/24 (v0^2 + v1^2 + v2^2 + (v0+v1+v2)^2) I - a Vt S V
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a = 2*area of tri = |(v1-v0) x (v2-v0)|
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I = 3x3 identity matrix
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@ -16,7 +16,7 @@
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improved CG and backtrack ls, added quadratic ls
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Sources: Numerical Recipes frprmn routine
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"Conjugate Gradient Method Without the Agonizing Pain" by
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JR Shewchuk, http://www-2.cs.cmu.edu/~jrs/jrspapers.html#cg
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JR Shewchuk, https://www.cs.cmu.edu/~quake-papers/painless-conjugate-gradient.pdf
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------------------------------------------------------------------------- */
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#include "min.h"
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@ -18,7 +18,7 @@
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added forcezero ls
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Sources: Numerical Recipes frprmn routine
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"Conjugate Gradient Method Without the Agonizing Pain" by
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JR Shewchuk, http://www-2.cs.cmu.edu/~jrs/jrspapers.html#cg
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JR Shewchuk, https://www.cs.cmu.edu/~quake-papers/painless-conjugate-gradient.pdf
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------------------------------------------------------------------------- */
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#include "min_linesearch.h"
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@ -124,7 +124,7 @@ void Update::init()
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void Update::set_units(const char *style)
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{
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// physical constants from:
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// http://physics.nist.gov/cuu/Constants/Table/allascii.txt
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// https://physics.nist.gov/cuu/Constants/Table/allascii.txt
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// using thermochemical calorie = 4.184 J
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double dt_old = dt;
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