/dports/science/octopus/octopus-10.5/testsuite/components/ |
H A D | 14-center-geom.01-run.inp | 3 "C" | -2.04399*angstrom | -0.56014*angstrom | -0.04261*angstrom 4 "C" | -3.19190*angstrom | -0.58263*angstrom | 0.92872*angstrom 5 "C" | -0.80775*angstrom | -0.35642*angstrom | 0.80984*angstrom 6 "C" | -1.67374*angstrom | 0.81166*angstrom | 0.41453*angstrom 7 "C" | -2.83363*angstrom | 0.78896*angstrom | 1.39602*angstrom 8 "C" | -2.56026*angstrom | -0.39074*angstrom | 2.29279*angstrom 9 "H" | -4.21652*angstrom | -0.82283*angstrom | 0.72555*angstrom 10 "H" | -3.60245*angstrom | 1.52567*angstrom | 1.51570*angstrom 11 "H" | -2.06955*angstrom | -0.78081*angstrom | -1.09119*angstrom 12 "H" | -1.44553*angstrom | 1.56791*angstrom | -0.30949*angstrom [all …]
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/dports/science/octopus/octopus-10.5/testsuite/finite_systems_3d/ |
H A D | 33-cg.01-orthogonalize_all.inp | 9 Radius = 4*angstrom 10 Spacing = 0.25*angstrom 13 "C" | 0.000*angstrom | 0.000*angstrom | 0.000*angstrom 14 "H" | -1.213*angstrom | -0.852*angstrom | 0.000*angstrom 15 "H" | 0.000*angstrom | 0.852*angstrom | -1.213*angstrom 16 "H" | 0.000*angstrom | 0.852*angstrom | 1.213*angstrom 17 "H" | 1.213*angstrom | -0.852*angstrom | 0.000*angstrom
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H A D | 33-cg.03-cg_direction.inp | 9 Radius = 4*angstrom 10 Spacing = 0.25*angstrom 13 "C" | 0.000*angstrom | 0.000*angstrom | 0.000*angstrom 14 "H" | -1.213*angstrom | -0.852*angstrom | 0.000*angstrom 15 "H" | 0.000*angstrom | 0.852*angstrom | -1.213*angstrom 16 "H" | 0.000*angstrom | 0.852*angstrom | 1.213*angstrom 17 "H" | 1.213*angstrom | -0.852*angstrom | 0.000*angstrom
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H A D | 33-cg.02-additional_terms.inp | 9 Radius = 4*angstrom 10 Spacing = 0.25*angstrom 13 "C" | 0.000*angstrom | 0.000*angstrom | 0.000*angstrom 14 "H" | -1.213*angstrom | -0.852*angstrom | 0.000*angstrom 15 "H" | 0.000*angstrom | 0.852*angstrom | -1.213*angstrom 16 "H" | 0.000*angstrom | 0.852*angstrom | 1.213*angstrom 17 "H" | 1.213*angstrom | -0.852*angstrom | 0.000*angstrom
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H A D | 20-eigensolver.02-cg.inp | 9 Radius = 4*angstrom 10 Spacing = 0.25*angstrom 13 "C" | 0.000*angstrom | 0.000*angstrom | 0.000*angstrom 14 "H" | -1.213*angstrom | -0.852*angstrom | 0.000*angstrom 15 "H" | 0.000*angstrom | 0.852*angstrom | -1.213*angstrom 16 "H" | 0.000*angstrom | 0.852*angstrom | 1.213*angstrom 17 "H" | 1.213*angstrom | -0.852*angstrom | 0.000*angstrom
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H A D | 20-eigensolver.04-plan.inp | 9 Radius = 4*angstrom 10 Spacing = 0.25*angstrom 13 "C" | 0.000*angstrom | 0.000*angstrom | 0.000*angstrom 14 "H" | -1.213*angstrom | -0.852*angstrom | 0.000*angstrom 15 "H" | 0.000*angstrom | 0.852*angstrom | -1.213*angstrom 16 "H" | 0.000*angstrom | 0.852*angstrom | 1.213*angstrom 17 "H" | 1.213*angstrom | -0.852*angstrom | 0.000*angstrom
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H A D | 20-eigensolver.01-lobpcg.inp | 9 Radius = 4*angstrom 10 Spacing = 0.25*angstrom 13 "C" | 0.000*angstrom | 0.000*angstrom | 0.000*angstrom 14 "H" | -1.213*angstrom | -0.852*angstrom | 0.000*angstrom 15 "H" | 0.000*angstrom | 0.852*angstrom | -1.213*angstrom 16 "H" | 0.000*angstrom | 0.852*angstrom | 1.213*angstrom 17 "H" | 1.213*angstrom | -0.852*angstrom | 0.000*angstrom
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H A D | 20-eigensolver.07-psd.inp | 9 Radius = 4*angstrom 10 Spacing = 0.25*angstrom 13 "C" | 0.000*angstrom | 0.000*angstrom | 0.000*angstrom 14 "H" | -1.213*angstrom | -0.852*angstrom | 0.000*angstrom 15 "H" | 0.000*angstrom | 0.852*angstrom | -1.213*angstrom 16 "H" | 0.000*angstrom | 0.852*angstrom | 1.213*angstrom 17 "H" | 1.213*angstrom | -0.852*angstrom | 0.000*angstrom
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H A D | 20-eigensolver.03-cg_new.inp | 9 Radius = 4*angstrom 10 Spacing = 0.25*angstrom 13 "C" | 0.000*angstrom | 0.000*angstrom | 0.000*angstrom 14 "H" | -1.213*angstrom | -0.852*angstrom | 0.000*angstrom 15 "H" | 0.000*angstrom | 0.852*angstrom | -1.213*angstrom 16 "H" | 0.000*angstrom | 0.852*angstrom | 1.213*angstrom 17 "H" | 1.213*angstrom | -0.852*angstrom | 0.000*angstrom
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H A D | 20-eigensolver.06-rmmdiis.inp | 9 Radius = 4*angstrom 10 Spacing = 0.25*angstrom 13 "C" | 0.000*angstrom | 0.000*angstrom | 0.000*angstrom 14 "H" | -1.213*angstrom | -0.852*angstrom | 0.000*angstrom 15 "H" | 0.000*angstrom | 0.852*angstrom | -1.213*angstrom 16 "H" | 0.000*angstrom | 0.852*angstrom | 1.213*angstrom 17 "H" | 1.213*angstrom | -0.852*angstrom | 0.000*angstrom
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H A D | 20-eigensolver.05-evolution.inp | 10 Radius = 4*angstrom 11 Spacing = 0.25*angstrom 14 "C" | 0.000*angstrom | 0.000*angstrom | 0.000*angstrom 15 "H" | -1.213*angstrom | -0.852*angstrom | 0.000*angstrom 16 "H" | 0.000*angstrom | 0.852*angstrom | -1.213*angstrom 17 "H" | 0.000*angstrom | 0.852*angstrom | 1.213*angstrom 18 "H" | 1.213*angstrom | -0.852*angstrom | 0.000*angstrom
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H A D | 20-eigensolver.08-rmmdiis-noscalapack.inp | 9 Radius = 4*angstrom 10 Spacing = 0.25*angstrom 13 "C" | 0.000*angstrom | 0.000*angstrom | 0.000*angstrom 14 "H" | -1.213*angstrom | -0.852*angstrom | 0.000*angstrom 15 "H" | 0.000*angstrom | 0.852*angstrom | -1.213*angstrom 16 "H" | 0.000*angstrom | 0.852*angstrom | 1.213*angstrom 17 "H" | 1.213*angstrom | -0.852*angstrom | 0.000*angstrom
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/QMMM/QS/regtest-shell-pol/ |
H A D | input_shell.inp | 47 B [angstrom^-1] 3.2808 48 C [eV*angstrom^6] 0.0 49 RCUT [angstrom] 5.0 55 C [eV*angstrom^6] 0.0 56 RCUT [angstrom] 5.0 62 C [eV*angstrom^6] 0.0 63 RCUT [angstrom] 5.0 70 RCUT [angstrom] 5.0 77 RCUT [angstrom] 10.0 84 RCUT [angstrom] 10.0 [all …]
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H A D | input_rigid.inp | 45 B [angstrom^-1] 3.2808 46 C [eV*angstrom^6] 0.0 47 RCUT [angstrom] 5.0 53 C [eV*angstrom^6] 0.0 54 RCUT [angstrom] 5.0 60 C [eV*angstrom^6] 0.0 61 RCUT [angstrom] 5.0 68 RCUT [angstrom] 5.0 75 RCUT [angstrom] 10.0 82 RCUT [angstrom] 10.0 [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/tests/QMMM/QS/regtest-shell-pol/ |
H A D | input_shell.inp | 47 B [angstrom^-1] 3.2808 48 C [eV*angstrom^6] 0.0 49 RCUT [angstrom] 5.0 55 C [eV*angstrom^6] 0.0 56 RCUT [angstrom] 5.0 62 C [eV*angstrom^6] 0.0 63 RCUT [angstrom] 5.0 70 RCUT [angstrom] 5.0 77 RCUT [angstrom] 10.0 84 RCUT [angstrom] 10.0 [all …]
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H A D | input_rigid.inp | 45 B [angstrom^-1] 3.2808 46 C [eV*angstrom^6] 0.0 47 RCUT [angstrom] 5.0 53 C [eV*angstrom^6] 0.0 54 RCUT [angstrom] 5.0 60 C [eV*angstrom^6] 0.0 61 RCUT [angstrom] 5.0 68 RCUT [angstrom] 5.0 75 RCUT [angstrom] 10.0 82 RCUT [angstrom] 10.0 [all …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/Fist/regtest-6/ |
H A D | uo2_buckmorse_nve.inp | 17 A1 [angstrom] 1.63 18 A2 [angstrom] 1.91 19 B1 [angstrom] 0.163511 20 B2 [angstrom] 0.163511 23 R0 [angstrom] 2.369 30 A1 [angstrom] 1.91 31 A2 [angstrom] 1.91 36 R0 [angstrom] 1.0 43 A1 [angstrom] 1.63 44 A2 [angstrom] 1.63 [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/tests/Fist/regtest-6/ |
H A D | uo2_buckmorse_nve.inp | 17 A1 [angstrom] 1.63 18 A2 [angstrom] 1.91 19 B1 [angstrom] 0.163511 20 B2 [angstrom] 0.163511 23 R0 [angstrom] 2.369 30 A1 [angstrom] 1.91 31 A2 [angstrom] 1.91 36 R0 [angstrom] 1.0 43 A1 [angstrom] 1.63 44 A2 [angstrom] 1.63 [all …]
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/dports/science/octopus/octopus-10.5/testsuite/periodic_systems/ |
H A D | 03-sodium_chain.03-ground_state_disp.inp | 17 "Na" | -1.99932905*angstrom | 0.0 | 0.0 23 1.99932905*angstrom | 5.29*angstrom | 5.29*angstrom 27 1.99932905/6*angstrom | 0.3*angstrom | 0.3*angstrom 31 0.1 | 0.000000/angstrom | 0.000000| 0.000000 32 0.2 | 0.157132/angstrom | 0.000000| 0.000000 33 0.2 | 0.314265/angstrom | 0.000000| 0.000000 34 0.2 | 0.471397/angstrom | 0.000000| 0.000000 35 0.2 | 0.628529/angstrom | 0.000000| 0.000000 36 0.1 | 0.785662/angstrom | 0.000000| 0.000000
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H A D | 03-sodium_chain.04-unocc_disp.inp | 17 "Na" | -1.99932905*angstrom | 0.0 | 0.0 23 1.99932905*angstrom | 5.29*angstrom | 5.29*angstrom 27 1.99932905/6*angstrom | 0.3*angstrom | 0.3*angstrom 31 0.1 | 0.000000/angstrom | 0.000000| 0.000000 32 0.2 | 0.157132/angstrom | 0.000000| 0.000000 33 0.2 | 0.314265/angstrom | 0.000000| 0.000000 34 0.2 | 0.471397/angstrom | 0.000000| 0.000000 35 0.2 | 0.628529/angstrom | 0.000000| 0.000000 36 0.1 | 0.785662/angstrom | 0.000000| 0.000000
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H A D | 03-sodium_chain.01-ground_state.inp | 23 1.99932905*angstrom | 5.29*angstrom | 5.29*angstrom 27 1.99932905/6*angstrom | 0.3*angstrom | 0.3*angstrom 31 0.1 | 0.000000/angstrom | 0.000000| 0.000000 32 0.2 | 0.157132/angstrom | 0.000000| 0.000000 33 0.2 | 0.314265/angstrom | 0.000000| 0.000000 34 0.2 | 0.471397/angstrom | 0.000000| 0.000000 35 0.2 | 0.628529/angstrom | 0.000000| 0.000000 36 0.1 | 0.785662/angstrom | 0.000000| 0.000000
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/dports/games/libretro-scummvm/scummvm-7b1e929/backends/platform/openpandora/build/ |
H A D | config.sh | 6 . /usr/local/angstrom/arm/environment-setup 8 CROSS_COMPILE=arm-angstrom-linux-gnueabi- 12 export CXX=arm-angstrom-linux-gnueabi-g++ 13 export CPPFLAGS=-I/usr/local/angstrom/arm/arm-angstrom-linux-gnueabi/usr/include 14 export LDFLAGS=-L/usr/local/angstrom/arm/arm-angstrom-linux-gnueabi/usr/lib 21 --with-sdl-prefix=/usr/local/angstrom/arm/arm-angstrom-linux-gnueabi/usr/bin \ 22 …--disable-vorbis --enable-tremor --with-tremor-prefix=/usr/local/angstrom/arm/arm-angstrom-linux-g… 23 --enable-zlib --with-zlib-prefix=/usr/local/angstrom/arm/arm-angstrom-linux-gnueabi/usr \ 24 --enable-mad --with-mad-prefix=/usr/local/angstrom/arm/arm-angstrom-linux-gnueabi/usr \ 25 --enable-png --with-png-prefix=/usr/local/angstrom/arm/arm-angstrom-linux-gnueabi/usr \
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H A D | config-alleng.sh | 6 . /usr/local/angstrom/arm/environment-setup 8 CROSS_COMPILE=arm-angstrom-linux-gnueabi- 12 export CXX=arm-angstrom-linux-gnueabi-g++ 13 export CPPFLAGS=-I/usr/local/angstrom/arm/arm-angstrom-linux-gnueabi/usr/include 14 export LDFLAGS=-L/usr/local/angstrom/arm/arm-angstrom-linux-gnueabi/usr/lib 21 --with-sdl-prefix=/usr/local/angstrom/arm/arm-angstrom-linux-gnueabi/usr/bin \ 22 …--disable-vorbis --enable-tremor --with-tremor-prefix=/usr/local/angstrom/arm/arm-angstrom-linux-g… 23 --enable-zlib --with-zlib-prefix=/usr/local/angstrom/arm/arm-angstrom-linux-gnueabi/usr \ 24 --enable-mad --with-mad-prefix=/usr/local/angstrom/arm/arm-angstrom-linux-gnueabi/usr \ 25 --enable-png --with-png-prefix=/usr/local/angstrom/arm/arm-angstrom-linux-gnueabi/usr \
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/dports/games/scummvm/scummvm-2.5.1/backends/platform/openpandora/build/ |
H A D | config.sh | 6 . /usr/local/angstrom/arm/environment-setup 8 CROSS_COMPILE=arm-angstrom-linux-gnueabi- 12 export CXX=arm-angstrom-linux-gnueabi-g++ 13 export CPPFLAGS=-I/usr/local/angstrom/arm/arm-angstrom-linux-gnueabi/usr/include 14 export LDFLAGS=-L/usr/local/angstrom/arm/arm-angstrom-linux-gnueabi/usr/lib 21 --with-sdl-prefix=/usr/local/angstrom/arm/arm-angstrom-linux-gnueabi/usr/bin \ 22 …--disable-vorbis --enable-tremor --with-tremor-prefix=/usr/local/angstrom/arm/arm-angstrom-linux-g… 23 --enable-zlib --with-zlib-prefix=/usr/local/angstrom/arm/arm-angstrom-linux-gnueabi/usr \ 24 --enable-mad --with-mad-prefix=/usr/local/angstrom/arm/arm-angstrom-linux-gnueabi/usr \ 25 --enable-png --with-png-prefix=/usr/local/angstrom/arm/arm-angstrom-linux-gnueabi/usr \
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H A D | config-alleng.sh | 6 . /usr/local/angstrom/arm/environment-setup 8 CROSS_COMPILE=arm-angstrom-linux-gnueabi- 12 export CXX=arm-angstrom-linux-gnueabi-g++ 13 export CPPFLAGS=-I/usr/local/angstrom/arm/arm-angstrom-linux-gnueabi/usr/include 14 export LDFLAGS=-L/usr/local/angstrom/arm/arm-angstrom-linux-gnueabi/usr/lib 21 --with-sdl-prefix=/usr/local/angstrom/arm/arm-angstrom-linux-gnueabi/usr/bin \ 22 …--disable-vorbis --enable-tremor --with-tremor-prefix=/usr/local/angstrom/arm/arm-angstrom-linux-g… 23 --enable-zlib --with-zlib-prefix=/usr/local/angstrom/arm/arm-angstrom-linux-gnueabi/usr \ 24 --enable-mad --with-mad-prefix=/usr/local/angstrom/arm/arm-angstrom-linux-gnueabi/usr \ 25 --enable-png --with-png-prefix=/usr/local/angstrom/arm/arm-angstrom-linux-gnueabi/usr \
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