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Searched refs:H1C (Results 1 – 25 of 56) sorted by relevance

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/dports/science/qmcpack/qmcpack-3.11.0/src/AFQMC/Hamiltonians/
H A DRealDenseHamiltonian_v2.cpp211 CMatrix H1C({NMO, NMO}); in getHamiltonianOperations() local
212 copy_n_cast(to_address(H1.origin()), NMO * NMO, H1C.origin()); in getHamiltonianOperations()
223 ma::product(PsiT[2 * nd], H1C, haj_r); in getHamiltonianOperations()
226 ma::product(PsiT[2 * nd + 1], H1C, hbj_r); in getHamiltonianOperations()
231 ma::product(ComplexType(2.0), PsiT[nd], H1C, ComplexType(0.0), haj_r); in getHamiltonianOperations()
H A DRealDenseHamiltonian.cpp213 CMatrix H1C({NMO, NMO}); in getHamiltonianOperations() local
214 copy_n_cast(to_address(H1.origin()), NMO * NMO, H1C.origin()); in getHamiltonianOperations()
225 ma::product(PsiT[2 * nd], H1C, haj_r); in getHamiltonianOperations()
228 ma::product(PsiT[2 * nd + 1], H1C, hbj_r); in getHamiltonianOperations()
233 ma::product(ComplexType(2.0), PsiT[nd], H1C, ComplexType(0.0), haj_r); in getHamiltonianOperations()
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/SE/sample_cif/
H A DCo_complex.cif389 H1C H 0.293(7) 0.860(3) 0.444(3) 0.019 Uiso 1 1 d D . .
453 N H1C 0.873(10) . ?
506 Co N H1C 103(2) . . ?
509 H1C N H1D 106(3) . . ?
510 H1C N C3 115(2) . . ?
573 N H1C Cl 0.873(10) 2.756(18) 3.560(3) 154(3) 1_565 y
/dports/science/cp2k-data/cp2k-7.1.0/tests/SE/sample_cif/
H A DCo_complex.cif389 H1C H 0.293(7) 0.860(3) 0.444(3) 0.019 Uiso 1 1 d D . .
453 N H1C 0.873(10) . ?
506 Co N H1C 103(2) . . ?
509 H1C N H1D 106(3) . . ?
510 H1C N C3 115(2) . . ?
573 N H1C Cl 0.873(10) 2.756(18) 3.560(3) 154(3) 1_565 y
/dports/science/mdynamix/md528/makemol/examples/
H A Dspermin.smol8 H1C -2.28901 6.18845 -5.18653 0.33 HC
/dports/editors/libreoffice/libreoffice-7.2.6.2/extras/
H A DCustomTarget_autotextshare.mk683 cs/template/H1C/content.xml \
684 cs/template/H1C/styles.xml \
865 da/template/H1C/content.xml \
866 da/template/H1C/styles.xml \
993 de/template/H1C/content.xml \
994 de/template/H1C/styles.xml \
1538 es/template/H1C/styles.xml \
1706 fr/template/H1C/styles.xml \
1951 hu/template/H1C/styles.xml \
2098 it/template/H1C/styles.xml \
[all …]
/dports/editors/libreoffice6/libreoffice-6.4.7.2/extras/
H A DCustomTarget_autotextshare.mk683 cs/template/H1C/content.xml \
684 cs/template/H1C/styles.xml \
865 da/template/H1C/content.xml \
866 da/template/H1C/styles.xml \
993 de/template/H1C/content.xml \
994 de/template/H1C/styles.xml \
1538 es/template/H1C/styles.xml \
1706 fr/template/H1C/styles.xml \
1951 hu/template/H1C/styles.xml \
2098 it/template/H1C/styles.xml \
[all …]
/dports/biology/molden/molden5.8/plush/
H A DRCD92 lab="H1C" NH="0"
H A D4JF157 lab="H1C" NH="0"
/dports/editors/libreoffice/libreoffice-7.2.6.2/oovbaapi/ooo/vba/excel/
H A DXlBuildInDialog.idl193 const long xlDialogProtectDocument = 28; //(&H1C)
/dports/editors/libreoffice6/libreoffice-6.4.7.2/oovbaapi/ooo/vba/excel/
H A DXlBuildInDialog.idl193 const long xlDialogProtectDocument = 28; //(&H1C)
/dports/science/mdynamix/md528/moldb/
H A Dspermin.mmol9 H1C -2.289 6.188 -5.187 1.0080 0.3300 0.4000 0.1926 HC 4
/dports/devel/asl/asl-current/include/z8/
H A Dz88c0x.inc254 H1C sfr 0f5h ; Handshake Channel 1 Control (Bank 0)
/dports/science/aircraft-datcom/aircraft-datcom-ed877bb/src/
H A Dhyprop.f66 DATA Q3131C/4H6313,4H1C ,4H /
/dports/devel/asl/asl-current/tests/t_s8forth/
H A Dt_s8forth.asm527 ld r3,H1C ; 38 f5
/dports/science/plumed/plumed2-2.7.2/user-doc/tutorials/others/isdb-1/charmm36-eef1sb.ff/
H A Dmerged.rtp19889 H1C HGA3 0.090 13
19931 C1 H1C
27541 H1C HCA3A 0.090 3
27614 C1 H1C
28347 H1C HCA3A 0.090 3
28408 C1 H1C
28782 H1C HGA3 0.090 3
28803 C1 H1C
28849 C1 H1C
28896 C1 H1C
[all …]
/dports/devel/bsdelf/elftoolchain-0.7.1/test/elfcopy/tc/elfcopy-noops-7/out/
H A Delfcopy-noops-7.out.shar233 XM"F"P"0```B,L``<$QPD``!,$"H1C"@``%*P#````%+8````!%)4$```"%)D"
930 XM"F"P"0```B,L``<$QPD``!,$"H1C"@``%*P#````%+8````!%)4$```"%)D"
/dports/devel/elftoolchain/elftoolchain-0.7.1/test/elfcopy/tc/elfcopy-noops-7/out/
H A Delfcopy-noops-7.out.shar233 XM"F"P"0```B,L``<$QPD``!,$"H1C"@``%*P#````%+8````!%)4$```"%)D"
930 XM"F"P"0```B,L``<$QPD``!,$"H1C"@``%*P#````%+8````!%)4$```"%)D"
/dports/devel/bsdelf/elftoolchain-0.7.1/test/elfcopy/tc/elfcopy-noops-7/in/
H A Delfcopy-noops-7.in.shar232 XM"F"P"0```B,L``<$QPD``!,$"H1C"@``%*P#````%+8````!%)4$```"%)D"
/dports/devel/bsdelf/elftoolchain-0.7.1/test/elfcopy/tc/strip-all-8/in/
H A Dstrip-all-8.in.shar232 XM"F"P"0```B,L``<$QPD``!,$"H1C"@``%*P#````%+8````!%)4$```"%)D"
/dports/devel/elftoolchain/elftoolchain-0.7.1/test/elfcopy/tc/elfcopy-noops-7/in/
H A Delfcopy-noops-7.in.shar232 XM"F"P"0```B,L``<$QPD``!,$"H1C"@``%*P#````%+8````!%)4$```"%)D"
/dports/devel/elftoolchain/elftoolchain-0.7.1/test/elfcopy/tc/strip-all-8/in/
H A Dstrip-all-8.in.shar232 XM"F"P"0```B,L``<$QPD``!,$"H1C"@``%*P#````%+8````!%)4$```"%)D"
/dports/science/jmol/jmol-14.32.7/src/org/jmol/minimize/forcefield/mmff/validate/
H A Dmmff-validation.dat1082 … #8 5 H3 #9 5 H4 #10 5 H5 #11 5 C1C #12 3 C3C #13 37 C4C #14 37 S1C #15 16 H1C #16 5 H3C #17 5 H4C…
1083 …3 #9 HC H4 #10 HC H5 #11 HC C1C #12 C=SN C3C #13 CB C4C #14 CB S1C #15 S=C H1C #16 HC H3C #17 HC H…
1084 …50 H5 #11 0.150 C1C #12 0.380 C3C #13 -0.150 C4C #14 -0.150 S1C #15 -0.380 H1C #16 0.060 H3C #17 0…
1085 …0.000 H5 #11 0.000 C1C #12 0.000 C3C #13 0.000 C4C #14 0.000 S1C #15 0.000 H1C #16 0.000 H3C #17 0…
2757 …N1C #17 39 N2C #18 65 C4C #19 63 C2C #20 64 C3C #21 64 C6C #22 1 C5C #23 1 H1C #24 5 H5C #25 5 H6C…
3182 …# ty P1 #1 26 C1 #2 1 C2 #3 4 N1 #4 42 H1 #5 5 H2 #6 5 C1C #7 1 C1D #8 1 C2C #9 4 H1C #10 5 H2C #1…
3183 …# symb P1 #1 P C1 #2 CR C2 #3 CSP N1 #4 NSP H1 #5 HC H2 #6 HC C1C #7 CR C1D #8 CR C2C #9 CSP H1C #…
3184 …1 #4 -0.557 H1 #5 0.000 H2 #6 0.000 C1C #7 0.367 C1D #8 0.367 C2C #9 0.357 H1C #10 0.000 H2C #11 0…
3185 …N1 #4 0.000 H1 #5 0.000 H2 #6 0.000 C1C #7 0.000 C1D #8 0.000 C2C #9 0.000 H1C #10 0.000 H2C #11 0…
3187 … 22 C2C #15 22 O1C #16 7 C5C #17 1 C4C #18 1 H4C #19 5 H5C #20 5 H6C #21 5 H1C #22 5 H2C #23 5 H3C…
[all …]
/dports/devel/bsdelf/elftoolchain-0.7.1/test/elfcopy/tc/strip-all-8/out/
H A Dstrip-all-8.out.shar409 XM"F"P"0```B,L``<$QPD``!,$"H1C"@``%*P#````%+8````!%)4$```"%)D"
/dports/devel/elftoolchain/elftoolchain-0.7.1/test/elfcopy/tc/strip-all-8/out/
H A Dstrip-all-8.out.shar409 XM"F"P"0```B,L``<$QPD``!,$"H1C"@``%*P#````%+8````!%)4$```"%)D"

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