quack/test/Rtest_ref.dat

 RHF energy
 -85.160473883160876
 RHF HOMO energy
  -0.501365804897693
 RHF LUMO energy
   0.203278954950938
 RHF dipole moment
   0.611349538338893
 ROHF energy
 -85.160473714509976
 RMP2 correlation energy
  -0.128988144386404
 phRRPA correlation energy
  -0.138552809856833
 phRRPAx correlation energy
  -0.197284981952336
 ppRRPA correlation energy
  -0.092561239071529
working on test 2023-11-11 16:16:57 +01:00			`RHF energy`
			`-85.160473883160876`
add more test in HF 2023-11-12 23:02:20 +01:00			`RHF HOMO energy`
			`-0.501365804897693`
			`RHF LUMO energy`
			`0.203278954950938`
			`RHF dipole moment`
			`0.611349538338893`
working on test 2023-11-11 16:16:57 +01:00			`ROHF energy`
			`-85.160473714509976`
introduce test in MP and RPA 2023-11-11 23:00:00 +01:00			`RMP2 correlation energy`
			`-0.128988144386404`
			`phRRPA correlation energy`
			`-0.138552809856833`
			`phRRPAx correlation energy`
			`-0.197284981952336`
			`ppRRPA correlation energy`
			`-0.092561239071529`