source: ThirdParty/mpqc_open/src/lib/chemistry/qc/oint3/i0211AB.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: 3.6 KB
Line 
1#include <chemistry/qc/oint3/build.h>
2int sc::BuildIntV3::i0211eAB(){
3/* the cost is 117 */
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;
26double t23;
27double t24;
28double t25;
29double t26;
30double t27;
31double t28;
32double t29;
33double t30;
34double t31;
35t1=int_v_W0-int_v_p120;
36double***restrictxx int_v_list0=int_v_list(0);
37double**restrictxx int_v_list00=int_v_list0[0];
38double*restrictxx int_v_list002=int_v_list00[2];
39t2=t1*int_v_list002[0];
40t3=0.5*int_v_ooze;
41t4=t3*t2;
42t2=int_v_W0-int_v_p340;
43t5=t2*int_v_list002[0];
44t6=int_v_p340-int_v_r30;
45double*restrictxx int_v_list001=int_v_list00[1];
46t7=t6*int_v_list001[0];
47t8=t7+t5;
48t5=int_v_zeta34*int_v_ooze;
49t7=int_v_oo2zeta12*t5;
50t5=(-1)*t7;
51t7=t5*t8;
52t9=t7+t4;
53t10=t2*int_v_list001[0];
54double*restrictxx int_v_list000=int_v_list00[0];
55t11=t6*int_v_list000[0];
56t12=t11+t10;
57double**restrictxx int_v_list01=int_v_list0[1];
58double*restrictxx int_v_list010=int_v_list01[0];
59int_v_list010[2]=t12;
60t10=int_v_oo2zeta12*t12;
61t11=t10+t9;
62t9=t3*int_v_list002[0];
63double*restrictxx int_v_list003=int_v_list00[3];
64t12=t2*int_v_list003[0];
65t2=t6*int_v_list002[0];
66t6=t2+t12;
67t2=t1*t6;
68t12=t2+t9;
69t2=t1*t12;
70t13=t2+t11;
71double***restrictxx int_v_list2=int_v_list(2);
72double**restrictxx int_v_list21=int_v_list2[1];
73double*restrictxx int_v_list210=int_v_list21[0];
74int_v_list210[17]=t13;
75t2=int_v_W2-int_v_p342;
76t11=t2*int_v_list002[0];
77t14=int_v_p342-int_v_r32;
78t15=t14*int_v_list001[0];
79t16=t15+t11;
80t11=t5*t16;
81t15=t2*int_v_list001[0];
82t17=t14*int_v_list000[0];
83t18=t17+t15;
84int_v_list010[1]=t18;
85t15=int_v_oo2zeta12*t18;
86t17=t15+t11;
87t18=t2*int_v_list003[0];
88t2=t14*int_v_list002[0];
89t14=t2+t18;
90t2=t1*t14;
91t18=t1*t2;
92t19=t18+t17;
93int_v_list210[16]=t19;
94t18=int_v_W1-int_v_p341;
95t20=t18*int_v_list002[0];
96t21=int_v_p341-int_v_r31;
97t22=t21*int_v_list001[0];
98t23=t22+t20;
99t20=t5*t23;
100t5=t18*int_v_list001[0];
101t22=t21*int_v_list000[0];
102t24=t22+t5;
103int_v_list010[0]=t24;
104t5=int_v_oo2zeta12*t24;
105t22=t5+t20;
106t24=t18*int_v_list003[0];
107t18=t21*int_v_list002[0];
108t21=t18+t24;
109t18=t1*t21;
110t24=t1*t18;
111t25=t24+t22;
112int_v_list210[15]=t25;
113t24=int_v_W2-int_v_p122;
114t26=t24*t12;
115int_v_list210[14]=t26;
116t27=t24*t2;
117t28=t4+t27;
118int_v_list210[13]=t28;
119t27=t24*t18;
120int_v_list210[12]=t27;
121t29=int_v_W1-int_v_p121;
122t30=t12*t29;
123int_v_list210[11]=t30;
124t12=t29*t2;
125int_v_list210[10]=t12;
126t2=t29*t18;
127t18=t4+t2;
128int_v_list210[9]=t18;
129t2=t10+t7;
130t4=t24*t6;
131t7=t24*t4;
132t4=t7+t2;
133int_v_list210[8]=t4;
134t7=t24*int_v_list002[0];
135t10=t3*t7;
136t7=t11+t10;
137t10=t15+t7;
138t7=t24*t14;
139t11=t9+t7;
140t7=t24*t11;
141t11=t7+t10;
142int_v_list210[7]=t11;
143t7=t24*t21;
144t10=t24*t7;
145t7=t22+t10;
146int_v_list210[6]=t7;
147t10=t29*t6;
148t6=t24*t10;
149int_v_list210[5]=t6;
150t15=t29*t14;
151t14=t24*t15;
152t22=t29*int_v_list002[0];
153t31=t3*t22;
154t22=t31+t14;
155int_v_list210[4]=t22;
156t14=t29*t21;
157t21=t9+t14;
158t9=t24*t21;
159int_v_list210[3]=t9;
160t14=t29*t10;
161t10=t2+t14;
162int_v_list210[2]=t10;
163t2=t29*t15;
164t14=t17+t2;
165int_v_list210[1]=t14;
166t2=t20+t31;
167t15=t5+t2;
168t2=t29*t21;
169t5=t2+t15;
170int_v_list210[0]=t5;
171t2=t3*int_v_list001[0];
172t3=t1*t8;
173t15=t3+t2;
174double***restrictxx int_v_list1=int_v_list(1);
175double**restrictxx int_v_list11=int_v_list1[1];
176double*restrictxx int_v_list110=int_v_list11[0];
177int_v_list110[8]=t15;
178t3=t1*t16;
179int_v_list110[7]=t3;
180t17=t1*t23;
181int_v_list110[6]=t17;
182t1=t24*t8;
183int_v_list110[5]=t1;
184t20=t24*t16;
185t21=t2+t20;
186int_v_list110[4]=t21;
187t20=t24*t23;
188int_v_list110[3]=t20;
189t24=t29*t8;
190int_v_list110[2]=t24;
191t8=t29*t16;
192int_v_list110[1]=t8;
193t16=t29*t23;
194t23=t2+t16;
195int_v_list110[0]=t23;
196return 1;}
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