8#ifndef INCLUDE_STRESSTUPLE_H_
9#define INCLUDE_STRESSTUPLE_H_
12template<std::size_t I=0,
typename ...TStress>
13inline typename std::enable_if<I ==
sizeof...(TStress),
void>::type
21 const int& i_gridPoint,
23 std::tuple<TStress&...> t)
25 if (
sizeof...(TStress)!=0)
28template<std::size_t I=0,
StressType stressType,
typename ...BF>
29inline typename std::enable_if<I <
sizeof...(BF),
void>::type
37 const int& i_gridPoint,
41 if (I == i_stress && stressType ==
Cauchy)
43 assert(rab.squaredNorm()>
epsilon);
44 std::get<I>(t).field[i_gridPoint]= std::get<I>(t).field[i_gridPoint] +
45 std::get<I>(t).method.bondFunction(ra,rb)*fij*rab.transpose()*rab/rab.norm();
47 else if (I == i_stress && stressType ==
Piola)
49 assert(rab.squaredNorm()>
epsilon);
50 std::get<I>(t).field[i_gridPoint]= std::get<I>(t).field[i_gridPoint] +
51 std::get<I>(t).method.bondFunction(rA,rB)*fij*rAB.transpose()*rab/rab.norm();
54 recursiveBuildStress<I+1>(fij,ra,rA,rb,rB,rab,rAB,i_gridPoint,i_stress,t);
58template<std::size_t I=0,
typename ...TStress>
59inline typename std::enable_if<I ==
sizeof...(TStress),
void>::type
60recursiveBuildContinuumFields(
const double& mass,
63 const int& i_gridPoint,
65 std::tuple<TStress&...> t)
67 if (
sizeof...(TStress)!=0)
70template<std::size_t I=0,
typename ...BF>
71inline typename std::enable_if<I <
sizeof...(BF),
void>::type
72recursiveBuildContinuumFields(
const double& mass,
75 const int& i_gridPoint,
81 auto& stress= std::get<I>(t);
82 if (position.norm() >= stress.method.getAveragingDomainSize())
84 double weight= stress.method(position);
85 stress.massDensityField[i_gridPoint]+= mass*weight;
86 stress.momentumDensityField[i_gridPoint]+= mass*weight*velocity;
89 recursiveBuildContinuumFields<I+1>(mass,velocity,position,i_gridPoint,i_stress,t);
92template<std::size_t I=0,
typename ...TStress>
93inline typename std::enable_if<I ==
sizeof...(TStress),
void>::type
94recursiveFinalizeContinuumVelocity(
const int& i_gridPoint,
96 std::tuple<TStress&...> t)
98 if (
sizeof...(TStress)!=0)
101template<std::size_t I=0,
typename ...BF>
102inline typename std::enable_if<I <
sizeof...(BF),
void>::type
103recursiveFinalizeContinuumVelocity(
const int& i_gridPoint,
109 auto& stress= std::get<I>(t);
110 if (stress.massDensityField[i_gridPoint] >
epsilon)
111 stress.velocityField[i_gridPoint]= stress.momentumDensityField[i_gridPoint]/stress.massDensityField[i_gridPoint];
113 stress.velocityField[i_gridPoint]= Vector3d::Zero();
116 recursiveFinalizeContinuumVelocity<I+1>(i_gridPoint,i_stress,t);
119template<std::size_t I=0,
typename ...TStress>
120inline typename std::enable_if<I ==
sizeof...(TStress),
Vector3d>::type
121recursiveGetContinuumVelocity(
const int& i_gridPoint,
123 std::tuple<TStress&...> t)
125 if (
sizeof...(TStress)!=0)
127 return Vector3d::Zero();
129template<std::size_t I=0,
typename ...BF>
130inline typename std::enable_if<I <
sizeof...(BF),
Vector3d>::type
131recursiveGetContinuumVelocity(
const int& i_gridPoint,
136 return std::get<I>(t).velocityField[i_gridPoint];
137 return recursiveGetContinuumVelocity<I+1>(i_gridPoint,i_stress,t);
140template<std::size_t I=0,
typename ...TStress>
141inline typename std::enable_if<I ==
sizeof...(TStress),
void>::type
142recursiveBuildKineticStress(
const double& mass,
145 const int& i_gridPoint,
147 std::tuple<TStress&...> t)
149 if (
sizeof...(TStress)!=0)
152template<std::size_t I=0,
typename ...BF>
153inline typename std::enable_if<I <
sizeof...(BF),
void>::type
154recursiveBuildKineticStress(
const double& mass,
157 const int& i_gridPoint,
163 auto& stress= std::get<I>(t);
164 if (position.norm() >= stress.method.getAveragingDomainSize())
166 stress.field[i_gridPoint]= stress.field[i_gridPoint] -
168 stress.method(position)*mass*velocity.transpose()*velocity;
171 recursiveBuildKineticStress<I+1>(mass,velocity,position,i_gridPoint,i_stress,t);
175template<std::size_t I=0,
typename ...TStress>
176inline typename std::enable_if<I ==
sizeof...(TStress),
void>::type
177recursiveNullifyStress(std::tuple<TStress&...> t)
180template<std::size_t I=0,
StressType stressType,
typename ...BF>
181inline typename std::enable_if<I <
sizeof...(BF),
void>::type
184 auto& stress= std::get<I>(t);
185 std::fill(stress.field.begin(), stress.field.end(),Matrix3d::Zero());
186 if constexpr (stressType==
Cauchy)
188 std::fill(stress.momentumDensityField.begin(), stress.momentumDensityField.end(),Vector3d::Zero());
189 std::fill(stress.massDensityField.begin(), stress.massDensityField.end(),0.0);
190 std::fill(stress.velocityField.begin(), stress.velocityField.end(),Vector3d::Zero());
192 recursiveNullifyStress<I+1>(t);
196double averagingDomainSize_max(
const std::tuple<> t)
200template<std::size_t I=0,
typename ...TStress>
201inline typename std::enable_if<I ==
sizeof...(TStress)-1,
double>::type
202 averagingDomainSize_max(
const std::tuple<TStress&...> t)
204 return std::get<I>(t).method.getAveragingDomainSize();
206template<std::size_t I=0,
typename ...TStress>
207inline typename std::enable_if<I <
sizeof...(TStress)-1,
double>::type
208 averagingDomainSize_max(
const std::tuple<TStress&...> t)
210 return std::max(std::get<I>(t).method.getAveragingDomainSize(),averagingDomainSize_max<I+1>(t));
215std::map<Grid<Reference>*,
double> recursiveGridMaxAveragingDomainSizeMap(
const std::tuple<>& t)
217std::map<Grid<Reference>*,
double> map;
220template<std::size_t I=0,
StressType stressType,
221 typename TGrid=
typename std::conditional<stressType == Piola,Grid<Reference>,
Grid<Current>>::type,
223inline typename std::enable_if<I ==
sizeof...(BF), std::map<TGrid*,double>>::type
226 std::map<TGrid*,double> map;
229template<std::size_t I=0,
StressType stressType,
230 typename TGrid=
typename std::conditional<stressType == Piola,Grid<Reference>,
Grid<Current>>::type,
232inline typename std::enable_if<I <
sizeof...(BF), std::map<TGrid*,double>>::type
235 std::map<TGrid*,double> map;
236 const std::map<TGrid*,double>& rmap= recursiveGridMaxAveragingDomainSizeMap<I+1>(t);
237 map[std::get<I>(t).pgrid]= std::get<I>(t).method.getAveragingDomainSize();
240 for (
const auto& pair : rmap)
241 if (std::get<I>(t).pgrid == pair.first)
243 map[pair.first]= std::max(map.at(std::get<I>(t).pgrid),pair.second);
247 auto result= map.insert(pair);
248 assert(result.second==
true);
255inline std::vector<std::pair<Grid<Current>*,
double>> getTGridDomainSizePairs(
const std::tuple<>& emptyTuple)
257 std::vector<std::pair<Grid<Current>*,
double>> emptyVectorPair;
258 return emptyVectorPair;
260inline std::vector<std::pair<Grid<Reference>*,
double>> getTGridDomainSizePairs(std::tuple<>&& emptyTuple)
262 std::vector<std::pair<Grid<Reference>*,
double>> emptyVectorPair;
263 return emptyVectorPair;
265template<std::size_t I=0,
StressType stressType,
266 typename TGrid=
typename std::conditional<stressType == Piola,Grid<Reference>,
Grid<Current>>::type,
268inline typename std::enable_if<I ==
sizeof...(BF)-1, std::vector<std::pair<TGrid*,double>>>::type
271 std::vector<std::pair<TGrid*,double>> vectorPair;
272 vectorPair.push_back({std::get<I>(t).pgrid,std::get<I>(t).method.getAveragingDomainSize()});
275template<std::size_t I=0,
StressType stressType,
276 typename TGrid=
typename std::conditional<stressType == Piola,Grid<Reference>,
Grid<Current>>::type,
278inline typename std::enable_if< I <
sizeof...(BF)-1, std::vector<std::pair<TGrid*,double>> >::type
281 std::vector<std::pair<TGrid*,double>> vectorPair;
282 vectorPair.push_back({std::get<I>(t).pgrid,std::get<I>(t).method.getAveragingDomainSize()});
283 std::vector<std::pair<TGrid*,double>>
next= getTGridDomainSizePairs<I+1>(t);
284 vectorPair.insert(vectorPair.end(),
next.begin(),
next.end());
289std::vector<GridBase*> getBaseGridList(
const std::tuple<> t)
294template<std::size_t I=0,
typename ...TStress>
295inline typename std::enable_if<I ==
sizeof...(TStress)-1, std::vector<GridBase*>>::type
296 getBaseGridList(
const std::tuple<TStress&...> t)
302template<std::size_t I=0,
typename ...TStress>
303inline typename std::enable_if<I <
sizeof...(TStress)-1, std::vector<GridBase*>>::type
304 getBaseGridList(
const std::tuple<TStress&...> t)
309 std::vector<GridBase*>
next= getBaseGridList<I+1>(t);
316template<std::size_t I=0,
typename ...TStress>
317inline typename std::enable_if<I ==
sizeof...(TStress),
void>::type
320template<std::size_t I=0,
typename ...TStress>
321inline typename std::enable_if<I <
sizeof...(TStress),
void>::type
325 std::tuple<TStress&...> t)
327 BoxPoints boxPoints(origin,cell, std::get<I>(t).pgrid->coordinates);
328 std::cout <<
"Folding grid points in grid: " << std::get<I>(t).pgrid <<
" if necessary...."<<
"\n";
330 std::cout << std::endl;
331 recursiveFold<I+1>(origin,cell,pbc,t);
335template<std::size_t I=0,
typename ...TStress>
336inline typename std::enable_if<I ==
sizeof...(TStress),
void>::type
340template<std::size_t I=0,
typename ...TStress>
341inline typename std::enable_if<I <
sizeof...(TStress),
void>::type
344 std::cout <<
"Writing stress and grid of " << std::get<I>(t).name << std::endl;
345 std::get<I>(t).write();
346 std::get<I>(t).pgrid->write(std::get<I>(t).name);
std::enable_if< I==sizeof...(TStress), void >::type recursiveBuildStress(const double &fij, const Vector3d &ra, const Vector3d &rA, const Vector3d &rb, const Vector3d &rB, const Vector3d &rab, const Vector3d &rAB, const int &i_gridPoint, const int &i_stress, std::tuple< TStress &... > t)
recursiveWriteStressAndGrid< I+1 >(t)
std::enable_if< I==sizeof...(TStress), void >::type recursiveWriteStressAndGrid(std::tuple< TStress &... > t)
std::enable_if< I==sizeof...(TStress), void >::type recursiveFold(const Vector3d &origin, const Matrix3d &cell, const Vector3i &pbc, const std::tuple< TStress &... > t)
std::enable_if< I< sizeof...(BF), void >::type recursiveBuildStress(const double &fij, const Vector3d &ra, const Vector3d &rA, const Vector3d &rb, const Vector3d &rB, const Vector3d &rab, const Vector3d &rAB, const int &i_gridPoint, const int &i_stress, std::tuple< Stress< BF, stressType > &... > t){ if(I==i_stress &&stressType==Cauchy) { assert(rab.squaredNorm()>epsilon);std::get< I >(t).field[i_gridPoint]=std::get< I >(t).field[i_gridPoint]+std::get< I >(t).method.bondFunction(ra, rb) *fij *rab.transpose() *rab/rab.norm();} else if(I==i_stress &&stressType==Piola) { assert(rab.squaredNorm()>epsilon);std::get< I >(t).field[i_gridPoint]=std::get< I >(t).field[i_gridPoint]+std::get< I >(t).method.bondFunction(rA, rB) *fij *rAB.transpose() *rab/rab.norm();} else recursiveBuildStress< I+1 >(fij, ra, rA, rb, rB, rab, rAB, i_gridPoint, i_stress, t);}template< std::size_t I=0, typename ...TStress >inline typename std::enable_if< I==sizeof...(TStress), void >::typerecursiveBuildContinuumFields(const double &mass, const Vector3d &velocity, const Vector3d &position, const int &i_gridPoint, const int &i_stress, std::tuple< TStress &... > t){ if(sizeof...(TStress)!=0) assert(0);}template< std::size_t I=0, typename ...BF >inline typename std::enable_if< I< sizeof...(BF), void >::typerecursiveBuildContinuumFields(const double &mass, const Vector3d &velocity, const Vector3d &position, const int &i_gridPoint, const int &i_stress, std::tuple< Stress< BF, Cauchy > &... > t){ if(I==i_stress) { auto &stress=std::get< I >(t);if(position.norm() >=stress.method.getAveragingDomainSize()) return;double weight=stress.method(position);stress.massDensityField[i_gridPoint]+=mass *weight;stress.momentumDensityField[i_gridPoint]+=mass *weight *velocity;} else recursiveBuildContinuumFields< I+1 >(mass, velocity, position, i_gridPoint, i_stress, t);}template< std::size_t I=0, typename ...TStress >inline typename std::enable_if< I==sizeof...(TStress), void >::typerecursiveFinalizeContinuumVelocity(const int &i_gridPoint, const int &i_stress, std::tuple< TStress &... > t){ if(sizeof...(TStress)!=0) assert(0);}template< std::size_t I=0, typename ...BF >inline typename std::enable_if< I< sizeof...(BF), void >::typerecursiveFinalizeContinuumVelocity(const int &i_gridPoint, const int &i_stress, std::tuple< Stress< BF, Cauchy > &... > t){ if(I==i_stress) { auto &stress=std::get< I >(t);if(stress.massDensityField[i_gridPoint] > epsilon) stress.velocityField[i_gridPoint]=stress.momentumDensityField[i_gridPoint]/stress.massDensityField[i_gridPoint];else stress.velocityField[i_gridPoint]=Vector3d::Zero();} else recursiveFinalizeContinuumVelocity< I+1 >(i_gridPoint, i_stress, t);}template< std::size_t I=0, typename ...TStress >inline typename std::enable_if< I==sizeof...(TStress), Vector3d >::typerecursiveGetContinuumVelocity(const int &i_gridPoint, const int &i_stress, std::tuple< TStress &... > t){ if(sizeof...(TStress)!=0) assert(0);return Vector3d::Zero();}template< std::size_t I=0, typename ...BF >inline typename std::enable_if< I< sizeof...(BF), Vector3d >::typerecursiveGetContinuumVelocity(const int &i_gridPoint, const int &i_stress, std::tuple< Stress< BF, Cauchy > &... > t){ if(I==i_stress) return std::get< I >(t).velocityField[i_gridPoint];return recursiveGetContinuumVelocity< I+1 >(i_gridPoint, i_stress, t);}template< std::size_t I=0, typename ...TStress >inline typename std::enable_if< I==sizeof...(TStress), void >::typerecursiveBuildKineticStress(const double &mass, const Vector3d &velocity, const Vector3d &position, const int &i_gridPoint, const int &i_stress, std::tuple< TStress &... > t){ if(sizeof...(TStress)!=0) assert(0);}template< std::size_t I=0, typename ...BF >inline typename std::enable_if< I< sizeof...(BF), void >::typerecursiveBuildKineticStress(const double &mass, const Vector3d &velocity, const Vector3d &position, const int &i_gridPoint, const int &i_stress, std::tuple< Stress< BF, Cauchy > &... > t){ if(I==i_stress) { auto &stress=std::get< I >(t);if(position.norm() >=stress.method.getAveragingDomainSize()) return;stress.field[i_gridPoint]=stress.field[i_gridPoint] - amuAngstromSquaredPerPicosecondSquaredToEv *stress.method(position) *mass *velocity.transpose() *velocity;} else recursiveBuildKineticStress< I+1 >(mass, velocity, position, i_gridPoint, i_stress, t);}template< std::size_t I=0, typename ...TStress >inline typename std::enable_if< I==sizeof...(TStress), void >::typerecursiveNullifyStress(std::tuple< TStress &... > t){}template< std::size_t I=0, StressType stressType, typename ...BF >inline typename std::enable_if< I< sizeof...(BF), void >::typerecursiveNullifyStress(std::tuple< Stress< BF, stressType > &... > t){ auto &stress=std::get< I >(t);std::fill(stress.field.begin(), stress.field.end(), Matrix3d::Zero());if constexpr(stressType==Cauchy) { std::fill(stress.momentumDensityField.begin(), stress.momentumDensityField.end(), Vector3d::Zero());std::fill(stress.massDensityField.begin(), stress.massDensityField.end(), 0.0);std::fill(stress.velocityField.begin(), stress.velocityField.end(), Vector3d::Zero());} recursiveNullifyStress< I+1 >(t);}double averagingDomainSize_max(const std::tuple<> t){ return 0;}template< std::size_t I=0, typename ...TStress >inline typename std::enable_if< I==sizeof...(TStress) -1, double >::type averagingDomainSize_max(const std::tuple< TStress &... > t){ return std::get< I >(t).method.getAveragingDomainSize();}template< std::size_t I=0, typename ...TStress >inline typename std::enable_if< I< sizeof...(TStress) -1, double >::type averagingDomainSize_max(const std::tuple< TStress &... > t){ return std::max(std::get< I >(t).method.getAveragingDomainSize(), averagingDomainSize_max< I+1 >(t));}std::map< Grid< Reference > *, double > recursiveGridMaxAveragingDomainSizeMap(const std::tuple<> &t){std::map< Grid< Reference > *, double > map;return map;}template< std::size_t I=0, StressType stressType, typename TGrid=typename std::conditional< stressType==Piola, Grid< Reference >, Grid< Current > >::type, typename ...BF >inline typename std::enable_if< I==sizeof...(BF), std::map< TGrid *, double > >::type recursiveGridMaxAveragingDomainSizeMap(const std::tuple< Stress< BF, stressType > &... > t){ std::map< TGrid *, double > map;return map;}template< std::size_t I=0, StressType stressType, typename TGrid=typename std::conditional< stressType==Piola, Grid< Reference >, Grid< Current > >::type, typename ...BF >inline typename std::enable_if< I< sizeof...(BF), std::map< TGrid *, double > >::type recursiveGridMaxAveragingDomainSizeMap(const std::tuple< Stress< BF, stressType > &... > t){ std::map< TGrid *, double > map;const std::map< TGrid *, double > &rmap=recursiveGridMaxAveragingDomainSizeMap< I+1 >(t);map[std::get< I >(t).pgrid]=std::get< I >(t).method.getAveragingDomainSize();for(const auto &pair :rmap) if(std::get< I >(t).pgrid==pair.first) { map[pair.first]=std::max(map.at(std::get< I >(t).pgrid), pair.second);} else { auto result=map.insert(pair);assert(result.second==true);} return map;}inline std::vector< std::pair< Grid< Current > *, double > > getTGridDomainSizePairs(const std::tuple<> &emptyTuple){ std::vector< std::pair< Grid< Current > *, double > > emptyVectorPair;return emptyVectorPair;}inline std::vector< std::pair< Grid< Reference > *, double > > getTGridDomainSizePairs(std::tuple<> &&emptyTuple){ std::vector< std::pair< Grid< Reference > *, double > > emptyVectorPair;return emptyVectorPair;}template< std::size_t I=0, StressType stressType, typename TGrid=typename std::conditional< stressType==Piola, Grid< Reference >, Grid< Current > >::type, typename ...BF >inline typename std::enable_if< I==sizeof...(BF) -1, std::vector< std::pair< TGrid *, double > > >::type getTGridDomainSizePairs(const std::tuple< Stress< BF, stressType > &... > t){ std::vector< std::pair< TGrid *, double > > vectorPair;vectorPair.push_back({std::get< I >(t).pgrid, std::get< I >(t).method.getAveragingDomainSize()});return vectorPair;}template< std::size_t I=0, StressType stressType, typename TGrid=typename std::conditional< stressType==Piola, Grid< Reference >, Grid< Current > >::type, typename ...BF >inline typename std::enable_if< I< sizeof...(BF) -1, std::vector< std::pair< TGrid *, double > > >::type getTGridDomainSizePairs(const std::tuple< Stress< BF, stressType > &... > t){ std::vector< std::pair< TGrid *, double > > vectorPair;vectorPair.push_back({std::get< I >(t).pgrid, std::get< I >(t).method.getAveragingDomainSize()});std::vector< std::pair< TGrid *, double > > next=getTGridDomainSizePairs< I+1 >(t);vectorPair.insert(vectorPair.end(), next.begin(), next.end());return vectorPair;}std::vector< GridBase * > getBaseGridList(const std::tuple<> t){ std::vector< GridBase * > pgridBaseVector;return pgridBaseVector;}template< std::size_t I=0, typename ...TStress >inline typename std::enable_if< I==sizeof...(TStress) -1, std::vector< GridBase * > >::type getBaseGridList(const std::tuple< TStress &... > t){ std::vector< GridBase * > pgridBaseVector;pgridBaseVector.push_back(std::get< I >(t).pgrid);return pgridBaseVector;}template< std::size_t I=0, typename ...TStress > std::enable_if< I< sizeof...(TStress) -1, std::vector< GridBase * > >::type getBaseGridList(const std::tuple< TStress &... > t){ std::vector< GridBase * > pgridBaseVector;pgridBaseVector.push_back(std::get< I >(t).pgrid);std::vector< GridBase * > next
Three-dimensional stress field on a grid.
const double amuAngstromSquaredPerPicosecondSquaredToEv
Eigen::Matrix< double, DIM, DIM, Eigen::RowMajor > Matrix3d
Eigen::Matrix< double, 1, DIM, Eigen::RowMajor > Vector3d
Eigen::Matrix< int, 1, DIM, Eigen::RowMajor > Vector3i