jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
lammps/lib/atc
History
Axel Kohlmeyer 27da716852
getting out of the insurance business :-) 		2023-01-23 16:45:41 -05:00
..
ATC_Coupling.cpp apply clang-tidy updates 2022-04-10 12:07:54 -04:00
ATC_Coupling.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ATC_CouplingEnergy.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ATC_CouplingEnergy.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ATC_CouplingMass.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ATC_CouplingMass.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ATC_CouplingMomentum.cpp apply clang-tidy updates 2022-04-10 12:07:54 -04:00
ATC_CouplingMomentum.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ATC_CouplingMomentumEnergy.cpp apply clang-tidy updates 2022-04-10 12:07:54 -04:00
ATC_CouplingMomentumEnergy.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ATC_Error.h derive ATC_Error exception class from std::exception 2022-04-10 15:25:37 -04:00
ATC_Method.cpp apply clang-tidy updates 2022-04-10 12:07:54 -04:00
ATC_Method.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ATC_Transfer.cpp apply clang-tidy updates 2022-04-10 12:07:54 -04:00
ATC_Transfer.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ATC_TransferKernel.cpp apply clang-tidy updates 2022-04-10 12:07:54 -04:00
ATC_TransferKernel.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ATC_TransferPartitionOfUnity.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ATC_TransferPartitionOfUnity.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ATC_TypeDefs.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
Array.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
Array2D.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
AtomToMoleculeTransfer.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
AtomToMoleculeTransfer.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
AtomicRegulator.cpp apply clang-tidy updates 2022-04-10 12:07:54 -04:00
AtomicRegulator.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
BodyForce.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
BodyForce.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
CBLattice.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
CBLattice.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
CG.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
CauchyBorn.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
CauchyBorn.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
CbEam.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
CbLjCut.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
CbLjSmoothLinear.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
CbPotential.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
CbPotential.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ChargeRegulator.cpp apply clang-tidy updates 2022-04-10 12:07:54 -04:00
ChargeRegulator.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
CloneVector.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ConcentrationRegulator.cpp apply clang-tidy updates 2022-04-10 12:07:54 -04:00
ConcentrationRegulator.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
DenseMatrix.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
DenseVector.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
DependencyManager.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
DiagonalMatrix.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
DislocationExtractor.h T2345: Replace instances of NULL with nullptr 2020-09-12 09:34:38 -06:00
ElasticTimeIntegrator.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ElasticTimeIntegrator.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ElectronChargeDensity.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ElectronChargeDensity.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ElectronDragPower.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ElectronDragPower.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ElectronFlux.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ElectronFlux.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ElectronHeatCapacity.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ElectronHeatCapacity.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ElectronHeatFlux.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ElectronHeatFlux.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ElectronPhononExchange.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ElectronPhononExchange.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ExtrinsicModel.cpp apply clang-tidy updates 2022-04-10 12:07:54 -04:00
ExtrinsicModel.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ExtrinsicModelDriftDiffusion.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ExtrinsicModelDriftDiffusion.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ExtrinsicModelElectrostatic.cpp enable to pass string constants 2022-08-05 07:22:11 -04:00
ExtrinsicModelElectrostatic.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ExtrinsicModelTwoTemperature.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ExtrinsicModelTwoTemperature.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
FE_Element.cpp fix index copy-n-paste error 2022-08-05 07:40:36 -04:00
FE_Element.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
FE_Engine.cpp apply clang-tidy updates 2022-04-10 12:07:54 -04:00
FE_Engine.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
FE_Interpolate.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
FE_Interpolate.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
FE_Mesh.cpp apply clang-tidy updates 2022-04-10 12:07:54 -04:00
FE_Mesh.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
FE_Quadrature.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
FieldEulerIntegrator.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
FieldEulerIntegrator.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
FieldManager.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
FieldManager.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
Function.cpp enable to pass string constants 2022-08-05 07:22:11 -04:00
Function.h enable to pass string constants 2022-08-05 07:22:11 -04:00
FundamentalAtomicQuantity.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
FundamentalAtomicQuantity.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
GMRES.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
GhostManager.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
GhostManager.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ImplicitSolveOperator.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ImplicitSolveOperator.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
Install.py correct symbolic links to shared Install.py file 2017-07-27 12:48:32 -04:00
InterscaleOperators.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
InterscaleOperators.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
KD_Tree.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
KD_Tree.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
KernelFunction.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
KernelFunction.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
KinetoThermostat.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
KinetoThermostat.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
Kinetostat.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
Kinetostat.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
LammpsInterface.cpp fix issues reported by coverity scan 2022-04-29 06:49:47 -04:00
LammpsInterface.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
LinearSolver.cpp apply clang-tidy updates 2022-04-10 12:07:54 -04:00
LinearSolver.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
MPI_Wrappers.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
MPI_Wrappers.h ATC version 2.0, date: Nov20 2014-11-20 18:59:03 +00:00
Makefile.g++ clean up makefiles provide "serial" and "mpi" targets for atc and awpmd 2017-07-28 13:36:06 -04:00
Makefile.icc sync with GH 2016-09-08 20:20:32 +00:00
Makefile.lammps.empty bulk rename of remaining USER- packages 2021-06-29 20:12:59 -04:00
Makefile.lammps.installed bulk rename of remaining USER- packages 2021-06-29 20:12:59 -04:00
Makefile.lammps.linalg don't need to link to Fortran runtime with linalg anymore 2022-12-28 13:48:36 -05:00
Makefile.mpi eliminate variable length arrays from AtC lib for C++ standard compliance 2018-05-07 17:36:34 -04:00
Makefile.mpic++ revive lib/atc/Makefile.mpic++ 2018-05-10 15:44:36 -04:00
Makefile.serial clean up makefiles provide "serial" and "mpi" targets for atc and awpmd 2017-07-28 13:36:06 -04:00
Material.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
Material.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
Matrix.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
Matrix.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
MatrixDef.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
MatrixLibrary.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
MeshReader.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
MeshReader.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13904 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-08-19 14:56:21 +00:00
MoleculeSet.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
MoleculeSet.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
NonLinearSolver.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
NonLinearSolver.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
OutputManager.cpp apply clang-tidy updates 2022-04-10 12:07:54 -04:00
OutputManager.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
PaqAtcUtility.cpp T2345: Replace instances of NULL with nullptr 2020-09-12 09:34:38 -06:00
PaqAtcUtility.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13904 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-08-19 14:56:21 +00:00
ParDenseMatrix.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ParDiagonalMatrix.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ParDiagonalMatrix.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ParSparseMatrix.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ParSparseMatrix.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
PerAtomQuantity-inl.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
PerAtomQuantity.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
PerAtomQuantityLibrary.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
PerAtomQuantityLibrary.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
PerPairQuantity.cpp apply clang-tidy updates 2022-04-10 12:07:54 -04:00
PerPairQuantity.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
PhysicsModel.cpp apply clang-tidy updates 2022-04-10 12:07:54 -04:00
PhysicsModel.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
PoissonSolver.cpp apply clang-tidy updates 2022-04-10 12:07:54 -04:00
PoissonSolver.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
PolynomialSolver.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
PolynomialSolver.h ATC version 2.0, date: Aug7 2013-08-07 21:34:54 +00:00
PrescribedDataManager.cpp apply clang-tidy updates 2022-04-10 12:07:54 -04:00
PrescribedDataManager.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
Quadrature.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
Quadrature.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
README getting out of the insurance business :-) 2023-01-23 16:45:41 -05:00
SchrodingerSolver.cpp apply clang-tidy updates 2022-04-10 12:07:54 -04:00
SchrodingerSolver.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ShapeFunction.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
SparseMatrix-inl.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
SparseMatrix.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
SparseVector-inl.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
SparseVector.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
SpeciesTimeIntegrator.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
SpeciesTimeIntegrator.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
Stress.cpp apply clang-tidy updates 2022-04-10 12:07:54 -04:00
Stress.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ThermalTimeIntegrator.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ThermalTimeIntegrator.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
Thermostat.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
Thermostat.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
TimeFilter.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
TimeFilter.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
TimeIntegrator.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
TimeIntegrator.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
TransferLibrary.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
TransferLibrary.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
TransferOperator.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
TransferOperator.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
Utility.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
Vector.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
Vector.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ViscousStress.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
ViscousStress.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
VoigtOperations.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
WeakEquation.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
WeakEquationChargeDiffusion.cpp apply clang-tidy updates 2022-04-10 12:07:54 -04:00
WeakEquationChargeDiffusion.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
WeakEquationDiffusion.cpp apply clang-tidy updates 2022-04-10 12:07:54 -04:00
WeakEquationDiffusion.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
WeakEquationElectronContinuity.cpp apply clang-tidy updates 2022-04-10 12:07:54 -04:00
WeakEquationElectronContinuity.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
WeakEquationElectronMomentum.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
WeakEquationElectronMomentum.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
WeakEquationElectronTemperature.cpp apply clang-tidy updates 2022-04-10 12:07:54 -04:00
WeakEquationElectronTemperature.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
WeakEquationMassDiffusion.cpp apply clang-tidy updates 2022-04-10 12:07:54 -04:00
WeakEquationMassDiffusion.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
WeakEquationMomentum.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
WeakEquationMomentum.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
WeakEquationPhononTemperature.cpp apply clang-tidy updates 2022-04-10 12:07:54 -04:00
WeakEquationPhononTemperature.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
WeakEquationPoisson.cpp replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
WeakEquationPoisson.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00
WeakEquationSchrodinger.cpp apply clang-tidy updates 2022-04-10 12:07:54 -04:00
WeakEquationSchrodinger.h replace tabs and remove trailing whitespace in lib folder with updated script 2021-08-22 20:45:24 -04:00

README 

ATC (Atom To Continuum methods)

Reese Jones, Jeremy Templeton, Jonathan Zimmerman (Sandia National Labs)
rjones, jatempl, jzimmer at sandia.gov
September 2009

This is version 1.0 of the ATC library, which provides continuum field
estimation and molecular dynamics-finite element coupling methods.

-------------------------------------------------

This directory has source files to build a library that LAMMPS
links against when using the ATC package.

This library must be built with a C++ compiler, before LAMMPS is
built, so LAMMPS can link against it.

You can type "make lib-atc" from the src directory to see help on how
to build this library via make commands, or you can do the same thing
by typing "python Install.py" from within this directory, or you can
do it manually by following the instructions below.

Build the library using one of the provided Makefile.* files or create
your own, specific to your compiler and system.  For example:

make -f Makefile.g++

Note that the ATC library makes MPI calls, so you must build it with
the same MPI library that is used to build LAMMPS, i.e. as specified
by settings in the lammps/src/MAKE/Makefile.machine file you are
using.

When you are done building this library, two files should
exist in this directory:

libatc.a		the library LAMMPS will link against
Makefile.lammps		settings the LAMMPS Makefile will import

Makefile.lammps is created by the make command, by copying one of the
Makefile.lammps.* files.  See the EXTRAMAKE setting at the top of the
Makefile.* files.

IMPORTANT: You must examine the final Makefile.lammps to ensure it is
correct for your system, else the LAMMPS build will likely fail.

Makefile.lammps has settings for 3 variables:

user-atc_SYSINC = leave blank for this package
user-atc_SYSLIB = BLAS and LAPACK libraries needed by this package
user-atc_SYSPATH = path(s) to where those libraries are

You have 3 choices for these settings:

a) If the 2 libraries are already installed on your system, the
settings in Makefile.lammps.installed should work.

b) If they are not, you can install them yourself, and specify the
appropriate settings accordingly in a Makefile.lammps.* file
and set the EXTRAMAKE setting in Makefile.* to that file.

c) Use the minimalist version of these libraries provided with LAMMPS
in lib/linalg, by using Makefile.lammps.linalg.  In this case you also
need to build the library in lib/linalg; see the lib/linalg/README
file for more details.