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codes [2014/07/14 11:00] bogner |
codes [2014/08/08 15:15] (current) bogner |
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| - | ===== Codes and Useful Links ===== | + | ====== Codes and Useful Links ====== |
| ==== Some useful black boxes ==== | ==== Some useful black boxes ==== | ||
| - | * {{:coulomboscrelme.f90.zip|}} Code to calculate the relative two-body matrix element $\langle nl|V|n'l\rangle$ of the Coulomb potential in the HO basis. Contains a subroutine to compute the HO wf's. | + | |
| - | * {{:eigen_basis.zip|}} C++ code adapted from Dick Furnstahl's Computational Physics course at Ohio State to calculate the Coulomb hamiltonian on a HO basis. This calculates the HO wf's a bit differently than Fortran code above, and the conventions (natural units versus SI, etc.) may differ. Also, this code is for HO wf's in the lab single particle coordinate, whereas the Fortran code is for HO wf's in the relative two-body coordinate $r = |\vec{r}_1-\vec{r}_2|$. This amounts to a factor of $\sqrt{2}$ difference in the oscillator length parameter defined as $b=\sqrt{\hbar/(m\omega$, whereas $b_{rel}=\sqrt{\hbar/(\mu\omega$, where $\mu$ is the reduced mass. | + | |
| + | * {{:relcom2labsystem.tar.gz|}} A f90 package that generates both m-scheme and J-coupled TBMEs in the oscillator basis. We will discuss how to use this before the afternoon session on Thursday. | ||
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| + | * {{:coulomboscrelmeV1.f90.zip|}} Some f90 subroutines (NOT a standalone code) from a larger code that calculates relative two-body matrix element $\langle nl|V|n'l\rangle$ of the Coulomb potential in the HO basis. The main purpose of this code is to illustrate the algorithm to calculate generalized Laguerre polynomials $L^{l+1/2}_n$ that enter the definition of the HO wf's $R_{nl}$. {{makefile.gz|Here}} is the Makefile that was missing. | ||
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| + | UPDATE: One of the files (renorm-modules.f90) in the TBME package had a subtle but important bug where matrix elements in the spin-triplet channel, which should vanish due to the structure of the Minnesota potential, were non-zero. Here is a fixed version of the file in question {{:renorm-modules.f90.gz|}}. | ||
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| + | * {{:eigen_basis.zip|}} C++ code adapted from Dick Furnstahl's Computational Physics course at Ohio State to calculate the Coulomb hamiltonian on a HO basis for $l=0$. This calculates the HO wf's a bit differently than Fortran code above. | ||
| ==== DFT/HF solvers ==== | ==== DFT/HF solvers ==== | ||
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| * {{:hfodd_snapshot_08072014.tar.gz|}} is a snapshot of the DFT solver HFODD which has been adapted to compute neutron drops at the Hartree-Fock approximation with the Minnesota potential. __Reference__: N. Schunck, J. Dobaczewski, J. McDonnell, W. Satula, J.A. Sheikh, A. Staszczak, M. Stoitsov, and P. Toivanen, //Solution of the Skyrme–Hartree–Fock–Bogolyubov equations in the Cartesian deformed harmonic-oscillator basis. (VII) hfodd (v2.49t): A new version of the program//, [[http://www.sciencedirect.com/science/article/pii/S0010465511002852|Comput. Phys. Comm. 183, 166 (2012)]]. | * {{:hfodd_snapshot_08072014.tar.gz|}} is a snapshot of the DFT solver HFODD which has been adapted to compute neutron drops at the Hartree-Fock approximation with the Minnesota potential. __Reference__: N. Schunck, J. Dobaczewski, J. McDonnell, W. Satula, J.A. Sheikh, A. Staszczak, M. Stoitsov, and P. Toivanen, //Solution of the Skyrme–Hartree–Fock–Bogolyubov equations in the Cartesian deformed harmonic-oscillator basis. (VII) hfodd (v2.49t): A new version of the program//, [[http://www.sciencedirect.com/science/article/pii/S0010465511002852|Comput. Phys. Comm. 183, 166 (2012)]]. | ||
| - | ===== Useful links ===== | + | ==== Useful links ==== |
| * [[http://www.uio.no/studier/emner/matnat/fys/FYS4411/v14/guides/index.html|Guide on a range of practical computational topics (Installing Armadillo, QT Creator IDE, Unit tests, etc.)]] | * [[http://www.uio.no/studier/emner/matnat/fys/FYS4411/v14/guides/index.html|Guide on a range of practical computational topics (Installing Armadillo, QT Creator IDE, Unit tests, etc.)]] | ||
codes.1405350024.txt.gz · Last modified: 2014/07/14 11:00 by bogner
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