QuAcK/test/Rtest_ref.dat

 RHF energy
  -2.855160426884076
 RHF HOMO energy
  -0.914126628614305
 RHF LUMO energy
   1.399859335225087
 RHF dipole moment
   0.000000000000000
 RMP2 correlation energy
  -0.011200122910187
 CCD correlation energy
  -0.014985063408247
 DCD correlation energy
  -0.014985062907429
 CCSD correlation energy
  -0.015001711549550
 drCCD correlation energy
  -0.018845374502248
 rCCD correlation energy
  -0.016836324636164
 crCCD correlation energy
   0.008524677369855
 lCCD correlation energy
  -0.008082420815100
 pCCD correlation energy
  -0.014985062519068
 RCIS singlet excitation energy
   1.911193619935257
 RCIS triplet excitation energy
   1.455852629402236
 phRRPA correlation energy
  -0.018845374129105
 phRRPAx correlation energy
  -0.015760565121283
 crRRPA correlation energy
  -0.008868581132405
 ppRRPA correlation energy
  -0.008082420815100
 RG0F2 correlation energy
  -0.011438430540374
 RG0F2 HOMO energy
  -0.882696116247871
 RG0F2 LUMO energy
   1.383080391811630
 evRGF2 correlation energy
  -0.011448483158486
 evRGF2 HOMO energy
  -0.881327878713477
 evRGF2 LUMO energy
   1.382458968133448
 RG0W0 correlation energy
  -0.019314094399756
 RG0W0 HOMO energy
  -0.870533880190454
 RG0W0 LUMO energy
   1.377171287010956
 evRGW correlation energy
  -0.019335511771724
 evRGW HOMO energy
  -0.868460640957913
 evRGW LUMO energy
   1.376287581471769
 RG0T0pp correlation energy
  -0.008082420815100
 RG0T0pp HOMO energy
  -0.914126628614305
 RG0T0pp LUMO energy
   1.399859335225087
 evRGTpp correlation energy
  -0.008082420815100
 evRGTpp HOMO energy
  -0.914126628614305
 evRGTpp LUMO energy
   1.399859335225087
working on test 2023-11-11 16:16:57 +01:00			`RHF energy`
OK with tests for now 2023-11-13 18:43:43 +01:00			`-2.855160426884076`
add more test in HF 2023-11-12 23:02:20 +01:00			`RHF HOMO energy`
OK with tests for now 2023-11-13 18:43:43 +01:00			`-0.914126628614305`
add more test in HF 2023-11-12 23:02:20 +01:00			`RHF LUMO energy`
OK with tests for now 2023-11-13 18:43:43 +01:00			`1.399859335225087`
add more test in HF 2023-11-12 23:02:20 +01:00			`RHF dipole moment`
OK with tests for now 2023-11-13 18:43:43 +01:00			`0.000000000000000`
introduce test in MP and RPA 2023-11-11 23:00:00 +01:00			`RMP2 correlation energy`
OK with tests for now 2023-11-13 18:43:43 +01:00			`-0.011200122910187`
include test in many different things... work on progress 2023-11-13 16:15:15 +01:00			`CCD correlation energy`
OK with tests for now 2023-11-13 18:43:43 +01:00			`-0.014985063408247`
include test in many different things... work on progress 2023-11-13 16:15:15 +01:00			`DCD correlation energy`
OK with tests for now 2023-11-13 18:43:43 +01:00			`-0.014985062907429`
include test in many different things... work on progress 2023-11-13 16:15:15 +01:00			`CCSD correlation energy`
OK with tests for now 2023-11-13 18:43:43 +01:00			`-0.015001711549550`
include test in many different things... work on progress 2023-11-13 16:15:15 +01:00			`drCCD correlation energy`
OK with tests for now 2023-11-13 18:43:43 +01:00			`-0.018845374502248`
include test in many different things... work on progress 2023-11-13 16:15:15 +01:00			`rCCD correlation energy`
OK with tests for now 2023-11-13 18:43:43 +01:00			`-0.016836324636164`
include test in many different things... work on progress 2023-11-13 16:15:15 +01:00			`crCCD correlation energy`
OK with tests for now 2023-11-13 18:43:43 +01:00			`0.008524677369855`
include test in many different things... work on progress 2023-11-13 16:15:15 +01:00			`lCCD correlation energy`
OK with tests for now 2023-11-13 18:43:43 +01:00			`-0.008082420815100`
include test in many different things... work on progress 2023-11-13 16:15:15 +01:00			`pCCD correlation energy`
OK with tests for now 2023-11-13 18:43:43 +01:00			`-0.014985062519068`
include test in many different things... work on progress 2023-11-13 16:15:15 +01:00			`RCIS singlet excitation energy`
OK with tests for now 2023-11-13 18:43:43 +01:00			`1.911193619935257`
include test in many different things... work on progress 2023-11-13 16:15:15 +01:00			`RCIS triplet excitation energy`
OK with tests for now 2023-11-13 18:43:43 +01:00			`1.455852629402236`
introduce test in MP and RPA 2023-11-11 23:00:00 +01:00			`phRRPA correlation energy`
OK with tests for now 2023-11-13 18:43:43 +01:00			`-0.018845374129105`
introduce test in MP and RPA 2023-11-11 23:00:00 +01:00			`phRRPAx correlation energy`
OK with tests for now 2023-11-13 18:43:43 +01:00			`-0.015760565121283`
include test in many different things... work on progress 2023-11-13 16:15:15 +01:00			`crRRPA correlation energy`
OK with tests for now 2023-11-13 18:43:43 +01:00			`-0.008868581132405`
introduce test in MP and RPA 2023-11-11 23:00:00 +01:00			`ppRRPA correlation energy`
OK with tests for now 2023-11-13 18:43:43 +01:00			`-0.008082420815100`
include test in many different things... work on progress 2023-11-13 16:15:15 +01:00			`RG0F2 correlation energy`
OK with tests for now 2023-11-13 18:43:43 +01:00			`-0.011438430540374`
include test in many different things... work on progress 2023-11-13 16:15:15 +01:00			`RG0F2 HOMO energy`
OK with tests for now 2023-11-13 18:43:43 +01:00			`-0.882696116247871`
include test in many different things... work on progress 2023-11-13 16:15:15 +01:00			`RG0F2 LUMO energy`
OK with tests for now 2023-11-13 18:43:43 +01:00			`1.383080391811630`
include test in many different things... work on progress 2023-11-13 16:15:15 +01:00			`evRGF2 correlation energy`
OK with tests for now 2023-11-13 18:43:43 +01:00			`-0.011448483158486`
include test in many different things... work on progress 2023-11-13 16:15:15 +01:00			`evRGF2 HOMO energy`
OK with tests for now 2023-11-13 18:43:43 +01:00			`-0.881327878713477`
include test in many different things... work on progress 2023-11-13 16:15:15 +01:00			`evRGF2 LUMO energy`
OK with tests for now 2023-11-13 18:43:43 +01:00			`1.382458968133448`
			`RG0W0 correlation energy`
			`-0.019314094399756`
			`RG0W0 HOMO energy`
			`-0.870533880190454`
			`RG0W0 LUMO energy`
			`1.377171287010956`
			`evRGW correlation energy`
			`-0.019335511771724`
			`evRGW HOMO energy`
			`-0.868460640957913`
			`evRGW LUMO energy`
			`1.376287581471769`
			`RG0T0pp correlation energy`
			`-0.008082420815100`
			`RG0T0pp HOMO energy`
			`-0.914126628614305`
			`RG0T0pp LUMO energy`
			`1.399859335225087`
			`evRGTpp correlation energy`
			`-0.008082420815100`
			`evRGTpp HOMO energy`
			`-0.914126628614305`
			`evRGTpp LUMO energy`
			`1.399859335225087`