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Searched refs:Ha1 (Results 1 – 25 of 69) sorted by relevance

123

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/Fist/sample_psf/
H A DN3_dye.psf19 13 MOL1 1 R1 Ha1 Ha1 0.185000 1.008 0
22 16 MOL1 1 R1 Ha1 Ha1 0.185000 1.008 0
50 44 MOL1 1 R1 Ha1 Ha1 0.185000 1.008 0
54 48 MOL1 1 R1 Ha1 Ha1 0.185000 1.008 0
/dports/science/cp2k-data/cp2k-7.1.0/tests/Fist/sample_psf/
H A DN3_dye.psf19 13 MOL1 1 R1 Ha1 Ha1 0.185000 1.008 0
22 16 MOL1 1 R1 Ha1 Ha1 0.185000 1.008 0
50 44 MOL1 1 R1 Ha1 Ha1 0.185000 1.008 0
54 48 MOL1 1 R1 Ha1 Ha1 0.185000 1.008 0
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/Fist/regtest-5-vib/
H A DN3dye_geoopt.inp41 ATOM Ha1
121 Ha1 -4.7121722853 0.9771931837 -1.3079560550
124 Ha1 -3.6099275872 2.1606607812 -2.5700755248
152 Ha1 3.0348094770 -2.1973703370 -3.6981408032
156 Ha1 4.4112962366 -1.2172089934 -2.5504109154
187 &KIND Ha1
H A DN3dye_vib_restart_vec.inp42 ATOM Ha1
122 Ha1 -4.7121722853 0.9771931837 -1.3079560550
125 Ha1 -3.6099275872 2.1606607812 -2.5700755248
153 Ha1 3.0348094770 -2.1973703370 -3.6981408032
157 Ha1 4.4112962366 -1.2172089934 -2.5504109154
188 &KIND Ha1
H A DN3dye_vib_bfgs2.inp42 ATOM Ha1
122 Ha1 -4.7121722853 0.9771931837 -1.3079560550
125 Ha1 -3.6099275872 2.1606607812 -2.5700755248
153 Ha1 3.0348094770 -2.1973703370 -3.6981408032
157 Ha1 4.4112962366 -1.2172089934 -2.5504109154
188 &KIND Ha1
H A DN3dye_vib_bfgs.inp42 ATOM Ha1
122 Ha1 -4.7121722853 0.9771931837 -1.3079560550
125 Ha1 -3.6099275872 2.1606607812 -2.5700755248
153 Ha1 3.0348094770 -2.1973703370 -3.6981408032
157 Ha1 4.4112962366 -1.2172089934 -2.5504109154
188 &KIND Ha1
H A DN3dye_vib_inv_atoms.inp40 ATOM Ha1
120 Ha1 -4.7121722853 0.9771931837 -1.3079560550
123 Ha1 -3.6099275872 2.1606607812 -2.5700755248
151 Ha1 3.0348094770 -2.1973703370 -3.6981408032
155 Ha1 4.4112962366 -1.2172089934 -2.5504109154
186 &KIND Ha1
H A DN3dye_vib_restart_vec4.inp42 ATOM Ha1
122 Ha1 -4.7121722853 0.9771931837 -1.3079560550
125 Ha1 -3.6099275872 2.1606607812 -2.5700755248
153 Ha1 3.0348094770 -2.1973703370 -3.6981408032
157 Ha1 4.4112962366 -1.2172089934 -2.5504109154
188 &KIND Ha1
H A DN3dye_vib_restart_vec2.inp42 ATOM Ha1
122 Ha1 -4.7121722853 0.9771931837 -1.3079560550
125 Ha1 -3.6099275872 2.1606607812 -2.5700755248
153 Ha1 3.0348094770 -2.1973703370 -3.6981408032
157 Ha1 4.4112962366 -1.2172089934 -2.5504109154
188 &KIND Ha1
H A DN3dye_vib_restart_vec3.inp42 ATOM Ha1
122 Ha1 -4.7121722853 0.9771931837 -1.3079560550
125 Ha1 -3.6099275872 2.1606607812 -2.5700755248
153 Ha1 3.0348094770 -2.1973703370 -3.6981408032
157 Ha1 4.4112962366 -1.2172089934 -2.5504109154
188 &KIND Ha1
/dports/science/cp2k-data/cp2k-7.1.0/tests/Fist/regtest-5-vib/
H A DN3dye_geoopt.inp41 ATOM Ha1
121 Ha1 -4.7121722853 0.9771931837 -1.3079560550
124 Ha1 -3.6099275872 2.1606607812 -2.5700755248
152 Ha1 3.0348094770 -2.1973703370 -3.6981408032
156 Ha1 4.4112962366 -1.2172089934 -2.5504109154
187 &KIND Ha1
H A DN3dye_vib_bfgs.inp42 ATOM Ha1
122 Ha1 -4.7121722853 0.9771931837 -1.3079560550
125 Ha1 -3.6099275872 2.1606607812 -2.5700755248
153 Ha1 3.0348094770 -2.1973703370 -3.6981408032
157 Ha1 4.4112962366 -1.2172089934 -2.5504109154
188 &KIND Ha1
H A DN3dye_vib_bfgs2.inp42 ATOM Ha1
122 Ha1 -4.7121722853 0.9771931837 -1.3079560550
125 Ha1 -3.6099275872 2.1606607812 -2.5700755248
153 Ha1 3.0348094770 -2.1973703370 -3.6981408032
157 Ha1 4.4112962366 -1.2172089934 -2.5504109154
188 &KIND Ha1
H A DN3dye_vib_inv_atoms.inp40 ATOM Ha1
120 Ha1 -4.7121722853 0.9771931837 -1.3079560550
123 Ha1 -3.6099275872 2.1606607812 -2.5700755248
151 Ha1 3.0348094770 -2.1973703370 -3.6981408032
155 Ha1 4.4112962366 -1.2172089934 -2.5504109154
186 &KIND Ha1
H A DN3dye_vib_restart_vec.inp42 ATOM Ha1
122 Ha1 -4.7121722853 0.9771931837 -1.3079560550
125 Ha1 -3.6099275872 2.1606607812 -2.5700755248
153 Ha1 3.0348094770 -2.1973703370 -3.6981408032
157 Ha1 4.4112962366 -1.2172089934 -2.5504109154
188 &KIND Ha1
H A DN3dye_vib_restart_vec2.inp42 ATOM Ha1
122 Ha1 -4.7121722853 0.9771931837 -1.3079560550
125 Ha1 -3.6099275872 2.1606607812 -2.5700755248
153 Ha1 3.0348094770 -2.1973703370 -3.6981408032
157 Ha1 4.4112962366 -1.2172089934 -2.5504109154
188 &KIND Ha1
H A DN3dye_vib_restart_vec3.inp42 ATOM Ha1
122 Ha1 -4.7121722853 0.9771931837 -1.3079560550
125 Ha1 -3.6099275872 2.1606607812 -2.5700755248
153 Ha1 3.0348094770 -2.1973703370 -3.6981408032
157 Ha1 4.4112962366 -1.2172089934 -2.5504109154
188 &KIND Ha1
H A DN3dye_vib_restart_vec4.inp42 ATOM Ha1
122 Ha1 -4.7121722853 0.9771931837 -1.3079560550
125 Ha1 -3.6099275872 2.1606607812 -2.5700755248
153 Ha1 3.0348094770 -2.1973703370 -3.6981408032
157 Ha1 4.4112962366 -1.2172089934 -2.5504109154
188 &KIND Ha1
/dports/biology/emboss/EMBOSS-6.6.0/doc/programs/master/emboss/apps/inc/
H A Dpepcoil.input76 FT Ha1).
80 FT haplotype Ha2, Sigma 1278B haplotype Ha1,
83 FT Ha1).
85 FT CLIB 413, CLIB 630 haplotype Ha1, K1,
87 FT Ha1).
H A Dpepnet.input76 FT Ha1).
80 FT haplotype Ha2, Sigma 1278B haplotype Ha1,
83 FT Ha1).
85 FT CLIB 413, CLIB 630 haplotype Ha1, K1,
87 FT Ha1).
/dports/astro/kstars/kstars-3.5.6/Tests/polaralign/
H A Dtest_poleaxis.cpp127 QFETCH(double, Ha1); in testPoleAxis()
138 SkyPoint p1(Ha1, Dec1); in testPoleAxis()
/dports/lang/erlang-runtime21/otp-OTP-21.3.8.24/lib/stdlib/src/
H A Dgen_event.erl650 {{ok, Ha1}, Reply} ->
651 {false, Reply, replace(Handler, MSL, Ha1)};
652 {{hibernate, Ha1}, Reply} ->
653 {true, Reply, replace(Handler, MSL, Ha1)}
/dports/lang/erlang-runtime22/otp-OTP-22.3.4.24/lib/stdlib/src/
H A Dgen_event.erl650 {{ok, Ha1}, Reply} ->
651 {false, Reply, replace(Handler, MSL, Ha1)};
652 {{hibernate, Ha1}, Reply} ->
653 {true, Reply, replace(Handler, MSL, Ha1)}
/dports/lang/erlang-runtime23/otp-OTP-23.3.4.10/lib/stdlib/src/
H A Dgen_event.erl695 {{ok, Ha1}, Reply} ->
696 {false, Reply, replace(Handler, MSL, Ha1)};
697 {{hibernate, Ha1}, Reply} ->
698 {true, Reply, replace(Handler, MSL, Ha1)}
/dports/lang/erlang-runtime24/otp-OTP-24.1.7/lib/stdlib/src/
H A Dgen_event.erl702 {{ok, Ha1}, Reply} ->
703 {false, Reply, replace(Handler, MSL, Ha1)};
704 {{hibernate, Ha1}, Reply} ->
705 {true, Reply, replace(Handler, MSL, Ha1)}

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