Home
last modified time | relevance | path

Searched refs:Ha2 (Results 1 – 25 of 72) sorted by relevance

123

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/Fist/sample_psf/
H A DN3_dye.psf13 7 MOL1 1 R1 Ha2 Ha2 0.157000 1.008 0
28 22 MOL1 1 R1 Ha2 Ha2 0.157000 1.008 0
43 37 MOL1 1 R1 Ha2 Ha2 0.157000 1.008 0
60 54 MOL1 1 R1 Ha2 Ha2 0.157000 1.008 0
/dports/science/cp2k-data/cp2k-7.1.0/tests/Fist/sample_psf/
H A DN3_dye.psf13 7 MOL1 1 R1 Ha2 Ha2 0.157000 1.008 0
28 22 MOL1 1 R1 Ha2 Ha2 0.157000 1.008 0
43 37 MOL1 1 R1 Ha2 Ha2 0.157000 1.008 0
60 54 MOL1 1 R1 Ha2 Ha2 0.157000 1.008 0
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/Fist/regtest-5-vib/
H A DN3dye_geoopt.inp45 ATOM Ha2
115 Ha2 -4.4669191393 -1.9228689671 1.8543804277
130 Ha2 0.3413595705 3.3989765046 -3.7165603082
145 Ha2 -1.0955166884 -3.3042758079 -4.0855447105
162 Ha2 4.9933291181 1.1396621203 0.9930256362
193 &KIND Ha2
H A DN3dye_vib_restart_vec.inp46 ATOM Ha2
116 Ha2 -4.4669191393 -1.9228689671 1.8543804277
131 Ha2 0.3413595705 3.3989765046 -3.7165603082
146 Ha2 -1.0955166884 -3.3042758079 -4.0855447105
163 Ha2 4.9933291181 1.1396621203 0.9930256362
194 &KIND Ha2
H A DN3dye_vib_bfgs2.inp46 ATOM Ha2
116 Ha2 -4.4669191393 -1.9228689671 1.8543804277
131 Ha2 0.3413595705 3.3989765046 -3.7165603082
146 Ha2 -1.0955166884 -3.3042758079 -4.0855447105
163 Ha2 4.9933291181 1.1396621203 0.9930256362
194 &KIND Ha2
H A DN3dye_vib_bfgs.inp46 ATOM Ha2
116 Ha2 -4.4669191393 -1.9228689671 1.8543804277
131 Ha2 0.3413595705 3.3989765046 -3.7165603082
146 Ha2 -1.0955166884 -3.3042758079 -4.0855447105
163 Ha2 4.9933291181 1.1396621203 0.9930256362
194 &KIND Ha2
H A DN3dye_vib_inv_atoms.inp44 ATOM Ha2
114 Ha2 -4.4669191393 -1.9228689671 1.8543804277
129 Ha2 0.3413595705 3.3989765046 -3.7165603082
144 Ha2 -1.0955166884 -3.3042758079 -4.0855447105
161 Ha2 4.9933291181 1.1396621203 0.9930256362
192 &KIND Ha2
H A DN3dye_vib_restart_vec4.inp46 ATOM Ha2
116 Ha2 -4.4669191393 -1.9228689671 1.8543804277
131 Ha2 0.3413595705 3.3989765046 -3.7165603082
146 Ha2 -1.0955166884 -3.3042758079 -4.0855447105
163 Ha2 4.9933291181 1.1396621203 0.9930256362
194 &KIND Ha2
H A DN3dye_vib_restart_vec2.inp46 ATOM Ha2
116 Ha2 -4.4669191393 -1.9228689671 1.8543804277
131 Ha2 0.3413595705 3.3989765046 -3.7165603082
146 Ha2 -1.0955166884 -3.3042758079 -4.0855447105
163 Ha2 4.9933291181 1.1396621203 0.9930256362
194 &KIND Ha2
H A DN3dye_vib_restart_vec3.inp46 ATOM Ha2
116 Ha2 -4.4669191393 -1.9228689671 1.8543804277
131 Ha2 0.3413595705 3.3989765046 -3.7165603082
146 Ha2 -1.0955166884 -3.3042758079 -4.0855447105
163 Ha2 4.9933291181 1.1396621203 0.9930256362
194 &KIND Ha2
/dports/science/cp2k-data/cp2k-7.1.0/tests/Fist/regtest-5-vib/
H A DN3dye_geoopt.inp45 ATOM Ha2
115 Ha2 -4.4669191393 -1.9228689671 1.8543804277
130 Ha2 0.3413595705 3.3989765046 -3.7165603082
145 Ha2 -1.0955166884 -3.3042758079 -4.0855447105
162 Ha2 4.9933291181 1.1396621203 0.9930256362
193 &KIND Ha2
H A DN3dye_vib_bfgs.inp46 ATOM Ha2
116 Ha2 -4.4669191393 -1.9228689671 1.8543804277
131 Ha2 0.3413595705 3.3989765046 -3.7165603082
146 Ha2 -1.0955166884 -3.3042758079 -4.0855447105
163 Ha2 4.9933291181 1.1396621203 0.9930256362
194 &KIND Ha2
H A DN3dye_vib_bfgs2.inp46 ATOM Ha2
116 Ha2 -4.4669191393 -1.9228689671 1.8543804277
131 Ha2 0.3413595705 3.3989765046 -3.7165603082
146 Ha2 -1.0955166884 -3.3042758079 -4.0855447105
163 Ha2 4.9933291181 1.1396621203 0.9930256362
194 &KIND Ha2
H A DN3dye_vib_inv_atoms.inp44 ATOM Ha2
114 Ha2 -4.4669191393 -1.9228689671 1.8543804277
129 Ha2 0.3413595705 3.3989765046 -3.7165603082
144 Ha2 -1.0955166884 -3.3042758079 -4.0855447105
161 Ha2 4.9933291181 1.1396621203 0.9930256362
192 &KIND Ha2
H A DN3dye_vib_restart_vec.inp46 ATOM Ha2
116 Ha2 -4.4669191393 -1.9228689671 1.8543804277
131 Ha2 0.3413595705 3.3989765046 -3.7165603082
146 Ha2 -1.0955166884 -3.3042758079 -4.0855447105
163 Ha2 4.9933291181 1.1396621203 0.9930256362
194 &KIND Ha2
H A DN3dye_vib_restart_vec2.inp46 ATOM Ha2
116 Ha2 -4.4669191393 -1.9228689671 1.8543804277
131 Ha2 0.3413595705 3.3989765046 -3.7165603082
146 Ha2 -1.0955166884 -3.3042758079 -4.0855447105
163 Ha2 4.9933291181 1.1396621203 0.9930256362
194 &KIND Ha2
H A DN3dye_vib_restart_vec3.inp46 ATOM Ha2
116 Ha2 -4.4669191393 -1.9228689671 1.8543804277
131 Ha2 0.3413595705 3.3989765046 -3.7165603082
146 Ha2 -1.0955166884 -3.3042758079 -4.0855447105
163 Ha2 4.9933291181 1.1396621203 0.9930256362
194 &KIND Ha2
H A DN3dye_vib_restart_vec4.inp46 ATOM Ha2
116 Ha2 -4.4669191393 -1.9228689671 1.8543804277
131 Ha2 0.3413595705 3.3989765046 -3.7165603082
146 Ha2 -1.0955166884 -3.3042758079 -4.0855447105
163 Ha2 4.9933291181 1.1396621203 0.9930256362
194 &KIND Ha2
/dports/www/elinks/elinks-0.11.7/src/protocol/auth/
H A Ddigest.c104 md5_digest_bin_T Ha2; in init_response_digest() local
123 MD5_Final(Ha2, &MD5Ctx); in init_response_digest()
125 convert_to_md5_digest_hex_T(Ha2, response); in init_response_digest()
/dports/astro/kstars/kstars-3.5.6/Tests/polaralign/
H A Dtest_poleaxis.cpp129 QFETCH(double, Ha2); in testPoleAxis()
139 SkyPoint p2(Ha2, Dec2); in testPoleAxis()
/dports/biology/emboss/EMBOSS-6.6.0/doc/programs/master/emboss/apps/inc/
H A Dpepcoil.input74 FT Ha2).
80 FT haplotype Ha2, Sigma 1278B haplotype Ha1,
86 FT YIIc12 haplotype Ha2 and YIIc17 haplotype
H A Dpepnet.input74 FT Ha2).
80 FT haplotype Ha2, Sigma 1278B haplotype Ha1,
86 FT YIIc12 haplotype Ha2 and YIIc17 haplotype
/dports/lang/swi-pl/swipl-8.2.3/packages/xpce/prolog/lib/draw/
H A Dalign.pl384 adjust_correct_handicap(center_x, Gr, Gr2, Ha1, Ha2),
385 adjust_correct_handicap(class, Gr, Gr2, Ha2, Ha3),
/dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/
H A Dexchange_gga.f901274 REAL(DP) Ha1,Ha2,Ha3,Ha4,Ha5 local
1405 Ha2 = 4.10834d-2
1468 Hnum = Ha1*s2 + Ha2*s4
1473 d1sHnum = Two*Ha1*s + Four*Ha2*s3
/dports/audio/py-music21/music21-7.1.0/music21/corpus/oneills1850/
H A D0301-0350.abc139 | c3 B A2 | f3~g Ha2 | F>G A3 G | F6 ||
141 | c3 B A2 | f3~g Ha2 | F>G A3 G | F6 ||
791 | f2dc Bcd=e | ^f2 Ha2 g2=fd | c3B G2G2 | G4- G2 ||

123