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Searched refs:CY3 (Results 1 – 25 of 52) sorted by relevance

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/dports/devel/py-cclib/cclib-1.7.1/data/Molpro/basicMolpro2006/
H A Ddvb_ir.out377 CY3 0.0102261 0.0611284 0.0000000 0.0140633 -0.1539436
430 CZ2 CX3 CY3 CZ3 CX4
433 CY3 0.0000000 -0.0661120 0.7845262
786 CY3 0.0008514 0.0050894 0.0000000 0.0011709 -0.0128169
842 CY3 0.0000000 -0.0055043 0.0653173
1789 CY3 0.00000 -0.06179 0.04442 0.00000 -0.07109
1854 CY3 0.00000 0.00000 0.04177 0.01283 0.00000
1919 CY3 -0.06254 0.00000 -0.01465 0.00000 0.11753
1984 CY3 0.00000 0.00000 0.00000 0.00000 0.00000
2439 CY3 -0.00031 -0.00039
[all …]
/dports/devel/py-cclib/cclib-1.7.1/data/Molpro/basicMolpro2012/
H A Ddvb_ir.out395 CY3 0.0102232 0.0611510 0.0000000 0.0140760 -0.1540061
448 CZ2 CX3 CY3 CZ3 CX4
451 CY3 0.0000000 -0.0664916 0.7841154
804 CY3 0.0008512 0.0050912 0.0000000 0.0011719 -0.0128221
860 CY3 0.0000000 -0.0055359 0.0652831
1807 CY3 -0.00000 -0.00000 -0.00000 -0.06201 0.04399
1872 CY3 0.00000 -0.07133 0.00000 -0.00000 0.04147
1937 CY3 0.01227 -0.00000 -0.06246 -0.00000 -0.01495
2002 CY3 -0.00000 0.11770 -0.00000 0.00000 -0.00000
2457 CY3 -0.04142 0.04183 -0.00027 -0.00035
[all …]
/dports/devel/py-cclib/cclib-1.7.1/data/Molpro/basicMolpro2018/
H A Ddvb_ir.out391 CY3 0.0102138 0.0611319 0.0000000 0.0141725 -0.1539390
444 CZ2 CX3 CY3 CZ3 CX4
447 CY3 0.0000000 -0.0663621 0.7842042
800 CY3 0.0008504 0.0050897 0.0000000 0.0011800 -0.0128165
856 CY3 0.0000000 -0.0055251 0.0652905
1801 CY3 -0.00000 -0.00000 0.00000 -0.06098 0.04503
1866 CY3 -0.00000 -0.07028 -0.00000 -0.00000 0.04280
1931 CY3 0.01367 -0.00000 -0.06199 0.00000 -0.01388
1996 CY3 -0.00000 0.11759 0.00000 0.00000 0.00000
2451 CY3 -0.04074 0.04116 -0.00031 -0.00040
[all …]
/dports/science/openbabel/openbabel-3.1.1/test/pdb_ligands_sdf/
H A D3cy3_jn5.sdf3 Coordinates from PDB:3CY3:A:501 Model:1 without hydrogens
124 3CY3
H A D5cy3_55y.sdf3 Coordinates from PDB:5CY3:A:701 Model:1 without hydrogens
112 5CY3
H A D4gkm_683.sdf55 CY3
H A D4giu_636.sdf89 CY3
H A D1xd1_6sa.sdf171 CY3
/dports/emulators/mess/mame-mame0226/3rdparty/bgfx/3rdparty/meshoptimizer/src/
H A Doverdrawanalyzer.cpp106 int CY3 = DX31 * (FY - Y3) - DY31 * (FX - X3) + TL3 - 1; in rasterize() local
113 int CX3 = CY3; in rasterize()
138 CY3 += int(unsigned(DX31) << 4); in rasterize()
/dports/emulators/mame/mame-mame0226/3rdparty/bgfx/3rdparty/meshoptimizer/src/
H A Doverdrawanalyzer.cpp106 int CY3 = DX31 * (FY - Y3) - DY31 * (FX - X3) + TL3 - 1; in rasterize() local
113 int CX3 = CY3; in rasterize()
138 CY3 += int(unsigned(DX31) << 4); in rasterize()
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/pelib/src/
H A Dpelib_cavity_generators.F90853 real(rp) :: CX3, CY3, CZ3, DX3, DY3, DZ3, R1X, R1Y, R1Z local
983 CY3 = (Y3-Y2)*ONEDISC
989 R1Y = CY3 + DY3
992 R2Y = CY3 - DY3
995 R3Y = -CY3 + DY3
998 R4Y = CY3 + DY3
1001 R5Y = CY3
1004 R6Y = CY3
1007 R7Y = -CY3
1010 R8Y = CY3
/dports/science/simbody/simbody-Simbody-3.7/SimTKmath/Integrators/src/
H A DRungeKuttaFeldbergIntegrator.cpp94 const Real CY3 = Real(dCY3); in attemptODEStep() local
146 y0 + h*CY1*f0 + h*CY2*ytmp[1] + h*CY3*ytmp[2] + h*CY4*ytmp[3]); in attemptODEStep()
/dports/biology/molden/molden5.8/plush/
H A DCY31 mol="CY3" Charge="0"
H A DC1118 lab="CY3" NH="2"
H A D6836 lab="CY3" NH="1"
H A D63622 lab="CY3" NH="1"
H A DTED31 lab="CY3" NH="2"
H A D5SA49 lab="CY3" NH="1"
H A D6SA16 lab="CY3" NH="1"
/dports/science/openbabel/openbabel-3.1.1/test/pdb_ligands_sdf/rdkit_addh/
H A D4gkm_683.sdf81 CY3
H A D4giu_636.sdf119 CY3
H A D1xd1_6sa.sdf297 CY3
/dports/emulators/dolphin-emu/dolphin-3152428/Source/Core/VideoBackends/Software/
H A DRasterizer.cpp444 s32 CY3 = C3 + DX31 * y0 - DY31 * x0; in DrawTriangleFrontFace() local
450 s32 CX3 = CY3; in DrawTriangleFrontFace()
466 CY3 += FDX31; in DrawTriangleFrontFace()
/dports/biology/sra-tools/sra-tools-2.11.0/ncbi-vdb/interfaces/sra/
H A Dabi.vschema203 extern column NCBI:fsamp1 CY3
208 NCBI:fsamp1 in_cy3 = CY3;
/dports/biology/ncbi-vdb/ncbi-vdb-2.11.0/interfaces/sra/
H A Dabi.vschema203 extern column NCBI:fsamp1 CY3
208 NCBI:fsamp1 in_cy3 = CY3;

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