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/dports/science/octopus/octopus-10.5/testsuite/components/
H A D14-center-geom.01-run.inp3 "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 …]
/dports/science/octopus/octopus-10.5/testsuite/finite_systems_3d/
H A D33-cg.01-orthogonalize_all.inp9 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
H A D33-cg.03-cg_direction.inp9 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
H A D33-cg.02-additional_terms.inp9 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
H A D20-eigensolver.02-cg.inp9 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
H A D20-eigensolver.04-plan.inp9 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
H A D20-eigensolver.01-lobpcg.inp9 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
H A D20-eigensolver.07-psd.inp9 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
H A D20-eigensolver.03-cg_new.inp9 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
H A D20-eigensolver.06-rmmdiis.inp9 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
H A D20-eigensolver.05-evolution.inp10 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
H A D20-eigensolver.08-rmmdiis-noscalapack.inp9 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
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/QMMM/QS/regtest-shell-pol/
H A Dinput_shell.inp47 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 …]
H A Dinput_rigid.inp45 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 …]
/dports/science/cp2k-data/cp2k-7.1.0/tests/QMMM/QS/regtest-shell-pol/
H A Dinput_shell.inp47 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 …]
H A Dinput_rigid.inp45 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 …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/Fist/regtest-6/
H A Duo2_buckmorse_nve.inp17 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 …]
/dports/science/cp2k-data/cp2k-7.1.0/tests/Fist/regtest-6/
H A Duo2_buckmorse_nve.inp17 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 …]
/dports/science/octopus/octopus-10.5/testsuite/periodic_systems/
H A D03-sodium_chain.03-ground_state_disp.inp17 "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
H A D03-sodium_chain.04-unocc_disp.inp17 "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
H A D03-sodium_chain.01-ground_state.inp23 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
/dports/games/libretro-scummvm/scummvm-7b1e929/backends/platform/openpandora/build/
H A Dconfig.sh6 . /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 \
H A Dconfig-alleng.sh6 . /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 \
/dports/games/scummvm/scummvm-2.5.1/backends/platform/openpandora/build/
H A Dconfig.sh6 . /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 \
H A Dconfig-alleng.sh6 . /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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