source: ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i3300.cc@ 47b463

Action_Thermostats Add_AtomRandomPerturbation Add_RotateAroundBondAction Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests 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_vmg ThirdParty_MPQC_rebuilt_buildsystem TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes stable
Last change on this file since 47b463 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: 3.0 KB
Line 
1#include <chemistry/qc/oint3/build.h>
2int sc::BuildIntV3::i3300(){
3/* the cost is 140 */
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_p120-int_v_r10;
32double*restrictxx int_v_list001=int_v_list00[1];
33t4=t3*int_v_list001[0];
34t5=t4+t2;
35t2=int_v_ooze*2;
36t4=int_v_zeta34*t2;
37t2=int_v_oo2zeta12*t4;
38t4=(-1)*t2;
39t2=t4*t5;
40t6=t1*int_v_list001[0];
41double*restrictxx int_v_list000=int_v_list00[0];
42t7=t3*int_v_list000[0];
43t8=t7+t6;
44t6=int_v_oo2zeta12*2;
45t7=t6*t8;
46t9=t7+t2;
47t2=int_v_zeta34*int_v_ooze;
48t7=int_v_oo2zeta12*t2;
49t2=(-1)*t7;
50t7=t2*int_v_list002[0];
51t10=int_v_oo2zeta12*int_v_list001[0];
52t11=t10+t7;
53double*restrictxx int_v_list003=int_v_list00[3];
54t7=t1*int_v_list003[0];
55t10=t3*int_v_list002[0];
56t12=t10+t7;
57t7=t1*t12;
58t10=t7+t11;
59t7=t3*t5;
60t13=t7+t10;
61t7=t1*t13;
62t10=t7+t9;
63t7=t2*int_v_list001[0];
64t9=int_v_oo2zeta12*int_v_list000[0];
65t14=t9+t7;
66t7=t1*t5;
67t1=t7+t14;
68t7=t3*t8;
69t9=t7+t1;
70t1=t3*t9;
71t3=t1+t10;
72double***restrictxx int_v_list3=int_v_list(3);
73double**restrictxx int_v_list30=int_v_list3[0];
74double*restrictxx int_v_list300=int_v_list30[0];
75int_v_list300[9]=t3;
76t1=int_v_W2-int_v_p122;
77t7=t1*t13;
78t10=int_v_p122-int_v_r12;
79t15=t10*t9;
80t16=t15+t7;
81int_v_list300[8]=t16;
82t7=int_v_W1-int_v_p121;
83t15=t13*t7;
84t13=int_v_p121-int_v_r11;
85t17=t9*t13;
86t9=t17+t15;
87int_v_list300[7]=t9;
88t15=t2*t5;
89t17=int_v_oo2zeta12*t8;
90t18=t17+t15;
91t15=t1*t12;
92t17=t10*t5;
93t19=t17+t15;
94t15=t1*t19;
95t17=t15+t18;
96t15=t1*t5;
97t19=t10*t8;
98t20=t19+t15;
99t15=t10*t20;
100t19=t15+t17;
101int_v_list300[6]=t19;
102t15=t7*t12;
103t12=t13*t5;
104t17=t12+t15;
105t12=t1*t17;
106t15=t7*t5;
107t5=t13*t8;
108t8=t5+t15;
109t5=t10*t8;
110t15=t5+t12;
111int_v_list300[5]=t15;
112t5=t7*t17;
113t12=t18+t5;
114t5=t13*t8;
115t8=t5+t12;
116int_v_list300[4]=t8;
117t5=t1*int_v_list002[0];
118t12=t10*int_v_list001[0];
119t17=t12+t5;
120t5=t4*t17;
121t12=t1*int_v_list001[0];
122t18=t10*int_v_list000[0];
123t20=t18+t12;
124t12=t6*t20;
125t18=t12+t5;
126t5=t1*int_v_list003[0];
127t12=t10*int_v_list002[0];
128t21=t12+t5;
129t5=t1*t21;
130t12=t11+t5;
131t5=t10*t17;
132t21=t5+t12;
133t5=t1*t21;
134t12=t5+t18;
135t5=t1*t17;
136t17=t14+t5;
137t5=t10*t20;
138t18=t5+t17;
139t5=t10*t18;
140t17=t5+t12;
141int_v_list300[3]=t17;
142t5=t7*int_v_list002[0];
143t12=t13*int_v_list001[0];
144t18=t12+t5;
145t5=t2*t18;
146t2=t7*int_v_list001[0];
147t12=t13*int_v_list000[0];
148t20=t12+t2;
149t2=int_v_oo2zeta12*t20;
150t12=t2+t5;
151t2=t7*int_v_list003[0];
152t5=t13*int_v_list002[0];
153t21=t5+t2;
154t2=t1*t21;
155t5=t10*t18;
156t22=t5+t2;
157t2=t1*t22;
158t5=t2+t12;
159t2=t1*t18;
160t12=t10*t20;
161t22=t12+t2;
162t2=t10*t22;
163t12=t2+t5;
164int_v_list300[2]=t12;
165t2=t7*t21;
166t5=t11+t2;
167t2=t13*t18;
168t11=t2+t5;
169t2=t1*t11;
170t1=t7*t18;
171t5=t14+t1;
172t1=t13*t20;
173t14=t1+t5;
174t1=t10*t14;
175t5=t1+t2;
176int_v_list300[1]=t5;
177t1=t4*t18;
178t2=t6*t20;
179t4=t2+t1;
180t1=t7*t11;
181t2=t1+t4;
182t1=t13*t14;
183t4=t1+t2;
184int_v_list300[0]=t4;
185return 1;}
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