diff --git a/src/GF/UG0F2.f90 b/src/GF/UG0F2.f90 index 3019e55..e531eb9 100644 --- a/src/GF/UG0F2.f90 +++ b/src/GF/UG0F2.f90 @@ -85,7 +85,7 @@ subroutine UG0F2(BSE,TDA,dBSE,dTDA,spin_conserved,spin_flip,linearize,eta,regula else - call unrestricted_self_energy_GF2_diag(nBas,nC,nO,nV,nR,eta,ERI_aaaa,ERI_aabb,ERI_bbbb,eHF,eHF,SigC,Z) + call UGF2_self_energy_diag(nBas,nC,nO,nV,nR,eta,ERI_aaaa,ERI_aabb,ERI_bbbb,eHF,eHF,SigC,Z) end if diff --git a/src/GF/unrestricted_self_energy_GF2.f90 b/src/GF/UGF2_self_energy.f90 similarity index 97% rename from src/GF/unrestricted_self_energy_GF2.f90 rename to src/GF/UGF2_self_energy.f90 index cce6adf..8c99cd2 100644 --- a/src/GF/unrestricted_self_energy_GF2.f90 +++ b/src/GF/UGF2_self_energy.f90 @@ -1,4 +1,4 @@ -subroutine unrestricted_self_energy_GF2(nBas,nC,nO,nV,nR,eta,ERI_aa,ERI_ab,ERI_bb,eHF,eGF2,SigC,Z) +subroutine UGF2_self_energy(nBas,nC,nO,nV,nR,eta,ERI_aa,ERI_ab,ERI_bb,eHF,eGF2,SigC,Z) ! Perform unrestricted GF2 self-energy and its renormalization factor @@ -192,4 +192,4 @@ subroutine unrestricted_self_energy_GF2(nBas,nC,nO,nV,nR,eta,ERI_aa,ERI_ab,ERI_b Z(:,:) = 1d0/(1d0 - Z(:,:)) -end subroutine unrestricted_self_energy_GF2 +end subroutine diff --git a/src/GF/unrestricted_self_energy_GF2_diag.f90 b/src/GF/UGF2_self_energy_diag.f90 similarity index 96% rename from src/GF/unrestricted_self_energy_GF2_diag.f90 rename to src/GF/UGF2_self_energy_diag.f90 index 6f06010..7d5972a 100644 --- a/src/GF/unrestricted_self_energy_GF2_diag.f90 +++ b/src/GF/UGF2_self_energy_diag.f90 @@ -1,4 +1,4 @@ -subroutine unrestricted_self_energy_GF2_diag(nBas,nC,nO,nV,nR,eta,ERI_aa,ERI_ab,ERI_bb,eHF,eGF2,SigC,Z) +subroutine UGF2_self_energy_diag(nBas,nC,nO,nV,nR,eta,ERI_aa,ERI_ab,ERI_bb,eHF,eGF2,SigC,Z) ! Perform unrestricted GF2 self-energy and its renormalization factor @@ -187,4 +187,4 @@ subroutine unrestricted_self_energy_GF2_diag(nBas,nC,nO,nV,nR,eta,ERI_aa,ERI_ab, Z(:,:) = 1d0/(1d0 - Z(:,:)) -end subroutine unrestricted_self_energy_GF2_diag +end subroutine diff --git a/src/GF/evUGF2.f90 b/src/GF/evUGF2.f90 index 68ad156..158c809 100644 --- a/src/GF/evUGF2.f90 +++ b/src/GF/evUGF2.f90 @@ -119,7 +119,7 @@ subroutine evUGF2(maxSCF,thresh,max_diis,BSE,TDA,dBSE,dTDA,spin_conserved,spin_f else - call unrestricted_self_energy_GF2_diag(nBas,nC,nO,nV,nR,eta,ERI_aaaa,ERI_aabb,ERI_bbbb,eHF,eGF2,SigC,Z) + call UGF2_self_energy_diag(nBas,nC,nO,nV,nR,eta,ERI_aaaa,ERI_aabb,ERI_bbbb,eHF,eGF2,SigC,Z) end if diff --git a/src/GF/qsUGF2.f90 b/src/GF/qsUGF2.f90 index 327495a..1e14966 100644 --- a/src/GF/qsUGF2.f90 +++ b/src/GF/qsUGF2.f90 @@ -184,7 +184,7 @@ subroutine qsUGF2(maxSCF,thresh,max_diis,BSE,TDA,dBSE,dTDA,spin_conserved,spin_f else - call unrestricted_self_energy_GF2(nBas,nC,nO,nV,nR,eta,ERI_aaaa,ERI_aabb,ERI_bbbb,eHF,eGF2,SigC,Z) + call UGF2_self_energy(nBas,nC,nO,nV,nR,eta,ERI_aaaa,ERI_aabb,ERI_bbbb,eHF,eGF2,SigC,Z) end if diff --git a/src/GW/UG0W0.f90 b/src/GW/UG0W0.f90 index 73eea6f..f3994f6 100644 --- a/src/GW/UG0W0.f90 +++ b/src/GW/UG0W0.f90 @@ -223,7 +223,7 @@ subroutine UG0W0(doACFDT,exchange_kernel,doXBS,BSE,TDA_W,TDA,dBSE,dTDA,spin_cons end if - call GW_UACFDT(exchange_kernel,doXBS,.true.,TDA_W,TDA,BSE,spin_conserved,spin_flip,eta, & + call UGW_ACFDT(exchange_kernel,doXBS,.true.,TDA_W,TDA,BSE,spin_conserved,spin_flip,eta, & nBas,nC,nO,nV,nR,nS,ERI_aaaa,ERI_aabb,ERI_bbbb,eHF,eGW,EcAC) write(*,*) diff --git a/src/GW/GW_UACFDT.f90 b/src/GW/UGW_ACFDT.f90 similarity index 99% rename from src/GW/GW_UACFDT.f90 rename to src/GW/UGW_ACFDT.f90 index fe4b1c8..d7eaf5c 100644 --- a/src/GW/GW_UACFDT.f90 +++ b/src/GW/UGW_ACFDT.f90 @@ -1,4 +1,4 @@ -subroutine GW_UACFDT(exchange_kernel,doXBS,dRPA,TDA_W,TDA,BSE,spin_conserved,spin_flip,eta, & +subroutine UGW_ACFDT(exchange_kernel,doXBS,dRPA,TDA_W,TDA,BSE,spin_conserved,spin_flip,eta, & nBas,nC,nO,nV,nR,nS,ERI_aaaa,ERI_aabb,ERI_bbbb,eW,e,EcAC) ! Compute the correlation energy via the adiabatic connection fluctuation dissipation theorem diff --git a/src/GW/evUGW.f90 b/src/GW/evUGW.f90 index a459c18..248926a 100644 --- a/src/GW/evUGW.f90 +++ b/src/GW/evUGW.f90 @@ -271,7 +271,7 @@ subroutine evUGW(maxSCF,thresh,max_diis,doACFDT,exchange_kernel,doXBS,BSE,TDA_W, end if - call GW_UACFDT(exchange_kernel,doXBS,.true.,TDA_W,TDA,BSE,spin_conserved,spin_flip, & + call UGW_ACFDT(exchange_kernel,doXBS,.true.,TDA_W,TDA,BSE,spin_conserved,spin_flip, & eta,nBas,nC,nO,nV,nR,nS,ERI_aaaa,ERI_aabb,ERI_bbbb,eGW,eGW,EcAC) write(*,*) diff --git a/src/GW/qsUGW.f90 b/src/GW/qsUGW.f90 index 883949d..2f0151b 100644 --- a/src/GW/qsUGW.f90 +++ b/src/GW/qsUGW.f90 @@ -401,7 +401,7 @@ subroutine qsUGW(maxSCF,thresh,max_diis,doACFDT,exchange_kernel,doXBS,BSE,TDA_W, end if - call GW_UACFDT(exchange_kernel,doXBS,.true.,TDA_W,TDA,BSE,spin_conserved,spin_flip, & + call UGW_ACFDT(exchange_kernel,doXBS,.true.,TDA_W,TDA,BSE,spin_conserved,spin_flip, & eta,nBas,nC,nO,nV,nR,nS,ERI_aaaa,ERI_aabb,ERI_bbbb,eGW,eGW,EcAC) write(*,*)