https://github.com/libbum/qfdtd
Parallelized 3D FDTD Schrodinger Solver
https://github.com/libbum/qfdtd
quantum-mechanics scientific-computing
Last synced: 3 days ago
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Parallelized 3D FDTD Schrodinger Solver
- Host: GitHub
- URL: https://github.com/libbum/qfdtd
- Owner: Libbum
- Created: 2013-03-04T01:11:22.000Z (over 13 years ago)
- Default Branch: master
- Last Pushed: 2015-05-18T04:18:12.000Z (about 11 years ago)
- Last Synced: 2025-01-08T23:05:00.142Z (over 1 year ago)
- Topics: quantum-mechanics, scientific-computing
- Language: C++
- Homepage:
- Size: 1.18 MB
- Stars: 0
- Watchers: 3
- Forks: 2
- Open Issues: 0
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Metadata Files:
- Readme: README.md
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README
qfdtd
=====
Parallelized FDTD Schrodinger Solver
Pulled from [sourceforge](http://sourceforge.net/projects/quantumfdtd/) originally, heavily modified for my needs. At the moment it's still quite a work in progress.
Trifid
======
module load blas/1.0.248
module load openmpi-gcc/1.7.0
module load lapack/3.4.2
Raijin
======
module load intel-mkl/13.2.146
module load intel-fc/13.2.146
module openmpi/1.6.3
TODO
====
- [x] Symmetry settings have not been checked for arbitrary box
- [X] Pull EPS check into parameters so it's not hard coded