source: ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i1300.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: 3.5 KB
Line 
1#include <chemistry/qc/oint3/build.h>
2int sc::BuildIntV3::i1300(){
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;
44double***restrictxx int_v_list1=int_v_list(1);
45double**restrictxx int_v_list10=int_v_list1[0];
46double*restrictxx int_v_list100=int_v_list10[0];
47int_v_list100[2]=t8;
48t6=int_v_oo2zeta12*2;
49t7=t6*t8;
50t9=t7+t2;
51t2=int_v_zeta34*int_v_ooze;
52t7=int_v_oo2zeta12*t2;
53t2=(-1)*t7;
54t7=t2*int_v_list002[0];
55t10=int_v_oo2zeta12*int_v_list001[0];
56t11=t10+t7;
57double*restrictxx int_v_list003=int_v_list00[3];
58t7=t1*int_v_list003[0];
59t10=t3*int_v_list002[0];
60t12=t10+t7;
61t7=t1*t12;
62t10=t7+t11;
63t7=t3*t5;
64t13=t7+t10;
65t7=t1*t13;
66t10=t7+t9;
67t7=t2*int_v_list001[0];
68t9=int_v_oo2zeta12*int_v_list000[0];
69t14=t9+t7;
70t7=t1*t5;
71t1=t7+t14;
72t7=t3*t8;
73t9=t7+t1;
74double***restrictxx int_v_list2=int_v_list(2);
75double**restrictxx int_v_list20=int_v_list2[0];
76double*restrictxx int_v_list200=int_v_list20[0];
77int_v_list200[5]=t9;
78t1=t3*t9;
79t3=t1+t10;
80double***restrictxx int_v_list3=int_v_list(3);
81double**restrictxx int_v_list30=int_v_list3[0];
82double*restrictxx int_v_list300=int_v_list30[0];
83int_v_list300[9]=t3;
84t1=int_v_W2-int_v_p122;
85t7=t1*t13;
86t10=int_v_p122-int_v_r12;
87t15=t10*t9;
88t16=t15+t7;
89int_v_list300[8]=t16;
90t7=int_v_W1-int_v_p121;
91t15=t13*t7;
92t13=int_v_p121-int_v_r11;
93t17=t13*t9;
94t9=t17+t15;
95int_v_list300[7]=t9;
96t15=t2*t5;
97t17=int_v_oo2zeta12*t8;
98t18=t17+t15;
99t15=t1*t12;
100t17=t10*t5;
101t19=t17+t15;
102t15=t1*t19;
103t17=t15+t18;
104t15=t1*t5;
105t19=t10*t8;
106t20=t19+t15;
107int_v_list200[4]=t20;
108t15=t10*t20;
109t19=t15+t17;
110int_v_list300[6]=t19;
111t15=t7*t12;
112t12=t13*t5;
113t17=t12+t15;
114t12=t1*t17;
115t15=t7*t5;
116t5=t13*t8;
117t8=t5+t15;
118int_v_list200[3]=t8;
119t5=t10*t8;
120t15=t5+t12;
121int_v_list300[5]=t15;
122t5=t7*t17;
123t12=t18+t5;
124t5=t13*t8;
125t8=t5+t12;
126int_v_list300[4]=t8;
127t5=t1*int_v_list002[0];
128t12=t10*int_v_list001[0];
129t17=t12+t5;
130t5=t4*t17;
131t12=t1*int_v_list001[0];
132t18=t10*int_v_list000[0];
133t20=t18+t12;
134int_v_list100[1]=t20;
135t12=t6*t20;
136t18=t12+t5;
137t5=t1*int_v_list003[0];
138t12=t10*int_v_list002[0];
139t21=t12+t5;
140t5=t1*t21;
141t12=t11+t5;
142t5=t10*t17;
143t21=t5+t12;
144t5=t1*t21;
145t12=t5+t18;
146t5=t1*t17;
147t17=t14+t5;
148t5=t10*t20;
149t18=t5+t17;
150int_v_list200[2]=t18;
151t5=t10*t18;
152t17=t5+t12;
153int_v_list300[3]=t17;
154t5=t7*int_v_list002[0];
155t12=t13*int_v_list001[0];
156t18=t12+t5;
157t5=t2*t18;
158t2=t7*int_v_list001[0];
159t12=t13*int_v_list000[0];
160t20=t12+t2;
161int_v_list100[0]=t20;
162t2=int_v_oo2zeta12*t20;
163t12=t2+t5;
164t2=t7*int_v_list003[0];
165t5=t13*int_v_list002[0];
166t21=t5+t2;
167t2=t1*t21;
168t5=t10*t18;
169t22=t5+t2;
170t2=t1*t22;
171t5=t2+t12;
172t2=t1*t18;
173t12=t10*t20;
174t22=t12+t2;
175int_v_list200[1]=t22;
176t2=t10*t22;
177t12=t2+t5;
178int_v_list300[2]=t12;
179t2=t7*t21;
180t5=t11+t2;
181t2=t13*t18;
182t11=t2+t5;
183t2=t1*t11;
184t1=t7*t18;
185t5=t14+t1;
186t1=t13*t20;
187t14=t1+t5;
188int_v_list200[0]=t14;
189t1=t10*t14;
190t5=t1+t2;
191int_v_list300[1]=t5;
192t1=t4*t18;
193t2=t6*t20;
194t4=t2+t1;
195t1=t7*t11;
196t2=t1+t4;
197t1=t13*t14;
198t4=t1+t2;
199int_v_list300[0]=t4;
200return 1;}
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