| Line | Branch | Exec | Source |
|---|---|---|---|
| 1 | #pragma once | ||
| 2 | |||
| 3 | #include "types.hpp" | ||
| 4 | |||
| 5 | struct alignas(64) Particle { | ||
| 6 | Vec r = Vec::Zero(); | ||
| 7 | ArrayI box = ArrayI::Zero(); | ||
| 8 | Vec v = Vec::Zero(); | ||
| 9 | Vec Fext = Vec::Zero(); | ||
| 10 | double Eext = 0.; | ||
| 11 | Vec Fint = Vec::Zero(); | ||
| 12 | Vec Tauext = Vec::Zero(); | ||
| 13 | Vec Tauint = Vec::Zero(); | ||
| 14 | Vec rRand = Vec::Zero(); | ||
| 15 | Vec u = Vec::Zero(); | ||
| 16 | Real sigma = 1.; | ||
| 17 | Real m = 1.; | ||
| 18 | Real gamma = 1.; | ||
| 19 | int species = 0; | ||
| 20 | |||
| 21 | 4955 | Particle(const Vec &r, const Vec &v = Vec::Zero(), const Vec &u = Vec::Zero(), Real sigma = 1., | |
| 22 | Real m = 1., Real gamma = 1., int species = 0) | ||
| 23 |
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4955 | : r(r), v(v), u(u), sigma(sigma), m(m), gamma(gamma), species(species) { |
| 24 |
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4955 | if (sigma > 1) { |
| 25 | 1 | throw std::invalid_argument( | |
| 26 | "The largest particle species has sigma = 1 by convention. Cannot create particle with " | ||
| 27 | 1 | "sigma = " + | |
| 28 |
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2 | std::to_string(sigma) + |
| 29 |
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3 | ". Please rescale your particles and system to meet this requirement."); |
| 30 | } | ||
| 31 | 4954 | } | |
| 32 |
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5833 | inline Vec F() const { return Fext + Fint; } |
| 33 | inline Vec Tau() const { return Tauext + Tauint; } | ||
| 34 | }; | ||
| 35 | |||
| 36 | enum class ParticleUpdateType { MOVE = 0, INSERT = 1, DELETE = -1 }; | ||
| 37 |