41adce0396
BigDFT is a DFT massively parallel electronic structure code using a wavelet basis set. It was developed in an European program. Wavelets form a real space basis set distributed on an adaptive mesh (two levels of resolution in our implementation). GTH or HGH pseudopotentials are used to remove the core electrons. Thanks to our Poisson solver based on a Green function formalism, periodic systems, surfaces and isolated systems can be simulated with the proper boundary conditions.
41 lines
812 B
Text
41 lines
812 B
Text
@comment $NetBSD: PLIST,v 1.1 2012/09/16 21:22:13 jihbed Exp $
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bin/BigDFT2Wannier
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bin/MDanalysis
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bin/NEB
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bin/NEB_driver.sh
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bin/WaCo
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bin/abscalc
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bin/analyze_georelax
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bin/bader
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bin/bart
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bin/bigdft
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bin/bigdft-tool
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bin/fermi
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bin/frequencies
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bin/matchrotation
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bin/memguess
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bin/oneatom
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bin/p_axis_posinp
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bin/rism
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bin/rotate_posinp
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bin/splsad
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bin/unitconversion_posinp
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bin/wocc
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include/bigdft.h
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include/bigdft_api.mod
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include/bigdft_cst.h
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include/module_base.mod
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include/module_defs.mod
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include/module_input.mod
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include/module_interfaces.mod
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include/module_types.mod
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include/module_xc.mod
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include/overlap_point_to_point.mod
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include/poisson_solver.mod
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lib/libabinit.a
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lib/libbigdft.a
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lib/libdft_common.a
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lib/pkgconfig/bigdft.pc
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share/doc/bigdft/BigDFT-manual.pdf
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share/doc/bigdft/cluster.pdf
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share/doc/bigdft/halFFT.pdf
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