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/*******************************************************************************
*
* Copyright (C) 2015 Culham Centre for Fusion Energy,
* United Kingdom Atomic Energy Authority, Oxfordshire OX14 3DB, UK
*
* Licensed under the Apache License, Version 2.0 (the "License");
* you may not use this file except in compliance with the License.
* You may obtain a copy of the License at
*
* http://www.apache.org/licenses/LICENSE-2.0
*
* Unless required by applicable law or agreed to in writing, software
* distributed under the License is distributed on an "AS IS" BASIS,
* WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
* See the License for the specific language governing permissions and
* limitations under the License.
*
********************************************************************************
*
* Program: SPILADY - A Spin-Lattice Dynamics Simulation Program
* Version: 1.0
* Date: Aug 2015
* Author: Pui-Wai (Leo) MA
* Contact: [email protected]
* Address: Culham Centre for Fusion Energy, Oxfordshire OX14 3DB, United Kingdom
*
********************************************************************************
*
* Parallelized for CPU or GPU.
* Written in OpenMP C/C++ and CUDA C/C++
* If running on CPUs, please use an OpenMP capable compiler.
* If running on GPUs, please use a CUDA compiler version 5.5 or later.
* Only a sinlge Nvidia GPU card (hardware verion >= 2.0) is used.
* Please see README for a full list of files and instructions regarding how to compile the program.
*
********************************************************************************
*
* In publications produced using SPILADY, where appropriate, please refer to the following papers:
*
* 1) Spin-lattice dynamics:
Spin-Lattice Dynamics Simulations of Ferromagnetic Iron, Pui-Wai Ma, C. H. Woo and S. L. Dudarev, AIP Conf. Proc. vol. 999, 134 (2008)
* Large-scale simulation of the spin-lattice dynamics in ferromagnetic ion, Pui-Wai Ma, C. H. Dudarev, and S. L. Dudarev, Phys. Rev. B78, 024434 (2008)
*
* 2) Spin-lattice-electron dynamics, or molecular-electron dynamics:
* Spin-lattice dynamics model for magnon-phonon-electron heat tranfer on a million atom scale, Pui-Wai Ma, S. L. Dudarev, and C. H. Woo, J. Appl. Phys. 111, 07D114 (2012).
* Spin-lattice electron dynamics simulations of magnetic materials, Phys. Rev. B85, 184301 (2012)
*
* 3) Local collective motion:
* Spin-lattice electron dynamics simulations of magnetic materials, Phys. Rev. B85, 184301 (2012)
*
* 4) Langevin spin dynamics:
* Langevin spin dynamics, Pui-Wai Ma, and S. L. Dudarev, Phys. Rev. B83, 134418 (2011)
*
* 5) Longitudinal magnetic fluctuation:
* Longitudinal magnetic fluctuations in Langevin spin dynamics, Pui-Wai Ma, and S. L. Dudarev, Phys. Rev B86, 054416 (2012)
*
* 6) Spin temperature:
* Temperature for a dynamic spin ensemble, Pui-Wai Ma, S. L. Dudarev, S. L. Semenov, and C. H. Woo, Phys. Rev. E82, 031111 (2010)
*
* 7) Parallel algorithm:
* Parallel algorithm for spin and spin-lattice dynamics simulations, Pui-Wai Ma, and C. H. Woo, Phys. Rev. E79, 046703 (2009)
*
* 8) Program code (SPILADY):
* SPILADY - A Spin-Lattice Dynamics Program, Pui-Wai Ma, and S. L. Dudarev (in preparation)
*
********************************************************************************
*
* Units:
* Internal units: Output units:
* Energy: eV eV
* Force: eV/A eV/A
* Length: Angstrom Angstrom
* Time: second second
* Stress: eV/A^3 GPa (in pressure and stress output)
* Mag. Mom.: muB muB (One can choose magnetic moments or atomic spins as input / output variables)
* Spin: dimensionless dimensionless (Atomic spin is always used in actual calculations.)
*
********************************************************************************
*
* Notes for GPU:
* Pointers with tail "_ptr_d" point to the GPU memory.
* Functions with tail "_GPU" run on device but call from the host.
* Functions with tail "_d" run on device and call from the device,
* with the exception of variable "Inv_d", which is the inverse of the box vector "d".
*
********************************************************************************
*
* Edit Notes:
* Date: Oct 2015
* Author: Pui-Wai (Leo) Ma
* Bug fixed:
* 1) quantum_noise_CPU.cpp
* 2) quantum_noise_GPU.cu
*
* Adjustment without changing any property:
* 1) potential_CPU.cpp
* 2) potential_GPU.cu
*
********************************************************************************/