source: ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1300AB.cc@ 860145

Action_Thermostats Add_AtomRandomPerturbation Add_RotateAroundBondAction Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator Combining_Subpackages Debian_Package_split Debian_package_split_molecuildergui_only Disabling_MemDebug Docu_Python_wait EmpiricalPotential_contain_HomologyGraph_documentation Enable_parallel_make_install Enhance_userguide Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph FitPartialCharges_GlobalError Fix_ChronosMutex Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion GeometryObjects Gui_displays_atomic_force_velocity IndependentFragmentGrids_IntegrationTest JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks RotateToPrincipalAxisSystem_UndoRedo StoppableMakroAction Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg ThirdParty_MPQC_rebuilt_buildsystem TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes stable
Last change on this file since 860145 was 860145, checked in by Frederik Heber <heber@…>, 8 years ago

Merge commit '0b990dfaa8c6007a996d030163a25f7f5fc8a7e7' as 'ThirdParty/mpqc_open'

  • Property mode set to 100644
File size: 2.6 KB
Line 
1#include <chemistry/qc/oint3/build.h>
2int sc::BuildIntV3::i1300eAB(){
3/* the cost is 75 */
4double t1;
5double t2;
6double t3;
7double t4;
8double t5;
9double t6;
10double t7;
11double t8;
12double t9;
13double t10;
14double t11;
15double t12;
16double t13;
17double t14;
18double t15;
19double t16;
20double t17;
21double t18;
22double t19;
23double t20;
24double t21;
25double t22;
26t1=int_v_W0-int_v_p120;
27double***restrictxx int_v_list0=int_v_list(0);
28double**restrictxx int_v_list00=int_v_list0[0];
29double*restrictxx int_v_list002=int_v_list00[2];
30t2=t1*int_v_list002[0];
31t3=int_v_ooze*2;
32t4=int_v_zeta34*t3;
33t3=int_v_oo2zeta12*t4;
34t4=(-1)*t3;
35t3=t4*t2;
36double*restrictxx int_v_list001=int_v_list00[1];
37t5=t1*int_v_list001[0];
38double***restrictxx int_v_list1=int_v_list(1);
39double**restrictxx int_v_list10=int_v_list1[0];
40double*restrictxx int_v_list100=int_v_list10[0];
41int_v_list100[2]=t5;
42t6=int_v_oo2zeta12*2;
43t7=t6*t5;
44t8=t7+t3;
45t3=int_v_zeta34*int_v_ooze;
46t7=int_v_oo2zeta12*t3;
47t3=(-1)*t7;
48t7=t3*int_v_list002[0];
49t9=int_v_oo2zeta12*int_v_list001[0];
50t10=t9+t7;
51double*restrictxx int_v_list003=int_v_list00[3];
52t7=t1*int_v_list003[0];
53t9=t1*t7;
54t11=t9+t10;
55t9=t1*t11;
56t12=t9+t8;
57double***restrictxx int_v_list3=int_v_list(3);
58double**restrictxx int_v_list30=int_v_list3[0];
59double*restrictxx int_v_list300=int_v_list30[0];
60int_v_list300[9]=t12;
61t8=int_v_W2-int_v_p122;
62t9=t8*t11;
63int_v_list300[8]=t9;
64t13=int_v_W1-int_v_p121;
65t14=t11*t13;
66int_v_list300[7]=t14;
67t11=t3*t2;
68t15=int_v_oo2zeta12*t5;
69t5=t15+t11;
70t11=t8*t7;
71t15=t8*t11;
72t11=t15+t5;
73int_v_list300[6]=t11;
74t15=t13*t7;
75t7=t8*t15;
76int_v_list300[5]=t7;
77t16=t13*t15;
78t15=t5+t16;
79int_v_list300[4]=t15;
80t5=t8*int_v_list002[0];
81t16=t4*t5;
82t17=t8*int_v_list001[0];
83int_v_list100[1]=t17;
84t18=t6*t17;
85t17=t18+t16;
86t16=t8*int_v_list003[0];
87t18=t8*t16;
88t16=t10+t18;
89t18=t8*t16;
90t16=t18+t17;
91int_v_list300[3]=t16;
92t17=t13*int_v_list002[0];
93t18=t3*t17;
94t19=t13*int_v_list001[0];
95int_v_list100[0]=t19;
96t20=int_v_oo2zeta12*t19;
97t21=t20+t18;
98t18=t13*int_v_list003[0];
99t20=t8*t18;
100t22=t8*t20;
101t20=t22+t21;
102int_v_list300[2]=t20;
103t21=t13*t18;
104t18=t10+t21;
105t10=t8*t18;
106int_v_list300[1]=t10;
107t21=t4*t17;
108t4=t6*t19;
109t6=t4+t21;
110t4=t13*t18;
111t18=t4+t6;
112int_v_list300[0]=t18;
113t4=t3*int_v_list001[0];
114double*restrictxx int_v_list000=int_v_list00[0];
115t3=int_v_oo2zeta12*int_v_list000[0];
116t6=t3+t4;
117t3=t1*t2;
118t1=t3+t6;
119double***restrictxx int_v_list2=int_v_list(2);
120double**restrictxx int_v_list20=int_v_list2[0];
121double*restrictxx int_v_list200=int_v_list20[0];
122int_v_list200[5]=t1;
123t3=t8*t2;
124int_v_list200[4]=t3;
125t4=t13*t2;
126int_v_list200[3]=t4;
127t2=t8*t5;
128t5=t6+t2;
129int_v_list200[2]=t5;
130t2=t8*t17;
131int_v_list200[1]=t2;
132t8=t13*t17;
133t13=t6+t8;
134int_v_list200[0]=t13;
135return 1;}
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