LCPQ/qp2
9
1
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-23 03:53:29 +01:00
Code Releases Activity

Remove debug printing and fix compilation issue.

Browse Source
This commit is contained in:
v1j4y 2022-11-03 15:40:05 +01:00
parent 3e44e79be5
commit a1f1b513ed
1 changed files with 7 additions and 7 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

14
src/csf/sigma_vector.irp.f
View File

@ -112,7 +112,7 @@
! endif ! endif
!enddo !enddo
n_CSF = 0 n_CSF = 0
print *," -9(((((((((((((( NSOMOMin=",NSOMOMin !print *," -9(((((((((((((( NSOMOMin=",NSOMOMin
ncfgprev = cfg_seniority_index(NSOMOMin) ! can be -1 ncfgprev = cfg_seniority_index(NSOMOMin) ! can be -1
if(ncfgprev.eq.-1)then if(ncfgprev.eq.-1)then
ncfgprev=1 ncfgprev=1
@ -145,10 +145,10 @@
endif endif
endif endif
n_CSF += ncfg*dimcsfpercfg n_CSF += ncfg*dimcsfpercfg
print *," i=",i," dimcsf=",dimcsfpercfg," ncfg=",ncfg, " ncfgprev=",ncfgprev, " senor=",cfg_seniority_index(i) !print *," i=",i," dimcsf=",dimcsfpercfg," ncfg=",ncfg, " ncfgprev=",ncfgprev, " senor=",cfg_seniority_index(i)
ncfgprev = cfg_seniority_index(i+2) ncfgprev = cfg_seniority_index(i+2)
end do end do
print *," ^^^^^ N_CSF = ",n_CSF," N_CFG=",N_configuration !print *," ^^^^^ N_CSF = ",n_CSF," N_CFG=",N_configuration
END_PROVIDER END_PROVIDER
@ -240,7 +240,7 @@ end subroutine get_phase_qp_to_cfg
! initialization ! initialization
psi_coef_config = 0.d0 psi_coef_config = 0.d0
DetToCSFTransformationMatrix(0,:,:) = 1.d0 DetToCSFTransformationMatrix(0,:,:) = 1.d0
do i = 2-iand(MS,1), NSOMOMax,2 do i = 2-iand(MS,1_8), NSOMOMax,2
Isomo = IBSET(0_8, i) - 1_8 Isomo = IBSET(0_8, i) - 1_8
! rows = Ncsfs ! rows = Ncsfs
! cols = Ndets ! cols = Ndets
@ -342,8 +342,8 @@ end subroutine get_phase_qp_to_cfg
nsomomin = elec_alpha_num-elec_beta_num nsomomin = elec_alpha_num-elec_beta_num
rowsmax = 0 rowsmax = 0
colsmax = 0 colsmax = 0
print *,"NSOMOMax = ",NSOMOMax !print *,"NSOMOMax = ",NSOMOMax
print *,"NSOMOMin = ",NSOMOMin !print *,"NSOMOMin = ",NSOMOMin
!allocate(AIJpqMatrixDimsList(NSOMOMax,NSOMOMax,4,NSOMOMax,NSOMOMax,2)) !allocate(AIJpqMatrixDimsList(NSOMOMax,NSOMOMax,4,NSOMOMax,NSOMOMax,2))
! Type ! Type
! 1. SOMO -> SOMO ! 1. SOMO -> SOMO
@ -525,7 +525,7 @@ end subroutine get_phase_qp_to_cfg
end do end do
end do end do
end do end do
print *,"Rowsmax=",rowsmax," Colsmax=",colsmax !print *,"Rowsmax=",rowsmax," Colsmax=",colsmax
END_PROVIDER END_PROVIDER
BEGIN_PROVIDER [ real*8, AIJpqContainer, (NBFMax,NBFmax,NSOMOMax+1,NSOMOMax+1,4,NSOMOMin:NSOMOMax)] BEGIN_PROVIDER [ real*8, AIJpqContainer, (NBFMax,NBFmax,NSOMOMax+1,NSOMOMax+1,4,NSOMOMin:NSOMOMax)]