From 2a0172e703dbf60cd411ba4412a6ac2102fd917d Mon Sep 17 00:00:00 2001
From: pfloos <pierrefrancois.loos@gmail.com>
Date: Mon, 31 Mar 2025 22:34:59 +0200
Subject: [PATCH] modify script to create new routines
---
src/Parquet/GParquet.f90 | 2 +-
src/Parquet/G_eh_Gam.f90 | 4 ++--
src/Parquet/G_eh_Phi.f90 | 2 +-
src/Parquet/G_irred_Parquet_self_energy.f90 | 2 +-
src/Parquet/G_pp_Phi.f90 | 2 +-
src/Parquet/G_screened_integrals.f90 | 4 ++--
src/Parquet/RParquet.f90 | 2 +-
src/Parquet/R_eh_singlet_Gam.f90 | 4 ++--
src/Parquet/R_eh_singlet_Phi.f90 | 2 +-
src/Parquet/R_eh_triplet_Gam.f90 | 4 ++--
src/Parquet/R_eh_triplet_Phi.f90 | 2 +-
src/Parquet/R_irred_Parquet_self_energy.f90 | 2 +-
src/Parquet/R_pp_singlet_Phi.f90 | 2 +-
src/Parquet/R_pp_triplet_Phi.f90 | 2 +-
src/Parquet/R_screened_integrals.f90 | 8 ++++----
utils/create_function.sh | 2 +-
utils/create_subroutine.sh | 2 +-
17 files changed, 24 insertions(+), 24 deletions(-)
diff --git a/src/Parquet/GParquet.f90 b/src/Parquet/GParquet.f90
index 68cc8fa..6aa7453 100644
--- a/src/Parquet/GParquet.f90
+++ b/src/Parquet/GParquet.f90
@@ -532,4 +532,4 @@ subroutine GParquet(ENuc,max_it_1b,conv_1b,max_it_2b,conv_2b,nOrb,nC,nO,nV,nR,nS
end if
-end subroutine GParquet
+end subroutine
diff --git a/src/Parquet/G_eh_Gam.f90 b/src/Parquet/G_eh_Gam.f90
index af8d235..7fe751f 100644
--- a/src/Parquet/G_eh_Gam.f90
+++ b/src/Parquet/G_eh_Gam.f90
@@ -35,7 +35,7 @@ subroutine G_eh_Gamma_A(nOrb,nC,nO,nR,nS,eh_Phi,pp_Phi,eh_Gam_A)
enddo
enddo
-end subroutine G_eh_Gamma_A
+end subroutine
subroutine G_eh_Gamma_B(nOrb,nC,nO,nR,nS,eh_Phi,pp_Phi,eh_Gam_B)
@@ -74,4 +74,4 @@ subroutine G_eh_Gamma_B(nOrb,nC,nO,nR,nS,eh_Phi,pp_Phi,eh_Gam_B)
enddo
enddo
-end subroutine G_eh_Gamma_B
+end subroutine
diff --git a/src/Parquet/G_eh_Phi.f90 b/src/Parquet/G_eh_Phi.f90
index 99f76f8..d110c64 100644
--- a/src/Parquet/G_eh_Phi.f90
+++ b/src/Parquet/G_eh_Phi.f90
@@ -34,4 +34,4 @@ subroutine G_eh_Phi(nOrb,nC,nR,nS,eh_Om,eh_rho,eh_Phi)
enddo
enddo
-end subroutine G_eh_Phi
+end subroutine
diff --git a/src/Parquet/G_irred_Parquet_self_energy.f90 b/src/Parquet/G_irred_Parquet_self_energy.f90
index ebb88a5..ad78e8c 100644
--- a/src/Parquet/G_irred_Parquet_self_energy.f90
+++ b/src/Parquet/G_irred_Parquet_self_energy.f90
@@ -310,4 +310,4 @@ subroutine G_Parquet_self_energy(eta,nOrb,nC,nO,nV,nR,nS,nOO,nVV,eQP,ERI,&
Z(:) = 1d0/(1d0 - Z(:))
-end subroutine G_Parquet_self_energy
+end subroutine
diff --git a/src/Parquet/G_pp_Phi.f90 b/src/Parquet/G_pp_Phi.f90
index b4c9853..65a5b4d 100644
--- a/src/Parquet/G_pp_Phi.f90
+++ b/src/Parquet/G_pp_Phi.f90
@@ -40,4 +40,4 @@ subroutine G_pp_Phi(nOrb,nC,nR,nOO,nVV,ee_Om,ee_rho,hh_Om,hh_rho,pp_Phi)
enddo
enddo
-end subroutine G_pp_Phi
+end subroutine
diff --git a/src/Parquet/G_screened_integrals.f90 b/src/Parquet/G_screened_integrals.f90
index 5f55898..aa66cb2 100644
--- a/src/Parquet/G_screened_integrals.f90
+++ b/src/Parquet/G_screened_integrals.f90
@@ -54,7 +54,7 @@ subroutine G_eh_screened_integral(nOrb,nC,nO,nR,nS,ERI,eh_Phi,pp_Phi,XpY,XmY,rho
! !$OMP END DO
! !$OMP END PARALLEL
-end subroutine G_eh_screened_integral
+end subroutine
subroutine G_pp_screened_integral(nOrb,nC,nO,nR,nOO,nVV,ERI,eh_Phi,X1,Y1,rho1,X2,Y2,rho2)
@@ -163,4 +163,4 @@ subroutine G_pp_screened_integral(nOrb,nC,nO,nR,nOO,nVV,ERI,eh_Phi,X1,Y1,rho1,X2
! !$OMP END DO
! !$OMP END PARALLEL
-end subroutine G_pp_screened_integral
+end subroutine
diff --git a/src/Parquet/RParquet.f90 b/src/Parquet/RParquet.f90
index 336c991..15d3cdd 100644
--- a/src/Parquet/RParquet.f90
+++ b/src/Parquet/RParquet.f90
@@ -685,4 +685,4 @@ subroutine RParquet(ENuc,max_it_1b,conv_1b,max_it_2b,conv_2b,nOrb,nC,nO,nV,nR,nS
end if
-end subroutine RParquet
+end subroutine
diff --git a/src/Parquet/R_eh_singlet_Gam.f90 b/src/Parquet/R_eh_singlet_Gam.f90
index 6a82d1d..02dcc02 100644
--- a/src/Parquet/R_eh_singlet_Gam.f90
+++ b/src/Parquet/R_eh_singlet_Gam.f90
@@ -39,7 +39,7 @@ subroutine R_eh_singlet_Gamma_A(nOrb,nC,nO,nR,nS,eh_sing_Phi,eh_trip_Phi,pp_sing
enddo
enddo
-end subroutine R_eh_singlet_Gamma_A
+end subroutine
subroutine R_eh_singlet_Gamma_B(nOrb,nC,nO,nR,nS,eh_sing_Phi,eh_trip_Phi,pp_sing_Phi,pp_trip_Phi,eh_sing_Gam_B)
@@ -83,4 +83,4 @@ subroutine R_eh_singlet_Gamma_B(nOrb,nC,nO,nR,nS,eh_sing_Phi,eh_trip_Phi,pp_sing
enddo
enddo
-end subroutine R_eh_singlet_Gamma_B
+end subroutine
diff --git a/src/Parquet/R_eh_singlet_Phi.f90 b/src/Parquet/R_eh_singlet_Phi.f90
index 91bb865..d7f8783 100644
--- a/src/Parquet/R_eh_singlet_Phi.f90
+++ b/src/Parquet/R_eh_singlet_Phi.f90
@@ -35,4 +35,4 @@ subroutine R_eh_singlet_Phi(nOrb,nC,nR,nS,eh_sing_Om,eh_sing_rho,eh_sing_Phi)
enddo
enddo
-end subroutine R_eh_singlet_Phi
+end subroutine
diff --git a/src/Parquet/R_eh_triplet_Gam.f90 b/src/Parquet/R_eh_triplet_Gam.f90
index acf03bc..d8fc0a5 100644
--- a/src/Parquet/R_eh_triplet_Gam.f90
+++ b/src/Parquet/R_eh_triplet_Gam.f90
@@ -40,7 +40,7 @@ subroutine R_eh_triplet_Gamma_A(nOrb,nC,nO,nR,nS,eh_sing_Phi,eh_trip_Phi,pp_sing
enddo
enddo
-end subroutine R_eh_triplet_Gamma_A
+end subroutine
subroutine R_eh_triplet_Gamma_B(nOrb,nC,nO,nR,nS,eh_sing_Phi,eh_trip_Phi,pp_sing_Phi,pp_trip_Phi,eh_trip_Gam_B)
@@ -83,4 +83,4 @@ subroutine R_eh_triplet_Gamma_B(nOrb,nC,nO,nR,nS,eh_sing_Phi,eh_trip_Phi,pp_sing
enddo
enddo
-end subroutine R_eh_triplet_Gamma_B
+end subroutine
diff --git a/src/Parquet/R_eh_triplet_Phi.f90 b/src/Parquet/R_eh_triplet_Phi.f90
index e6d8587..38fd216 100644
--- a/src/Parquet/R_eh_triplet_Phi.f90
+++ b/src/Parquet/R_eh_triplet_Phi.f90
@@ -35,4 +35,4 @@ subroutine R_eh_triplet_Phi(nOrb,nC,nR,nS,eh_trip_Om,eh_trip_rho,eh_trip_Phi)
enddo
enddo
-end subroutine R_eh_triplet_Phi
+end subroutine
diff --git a/src/Parquet/R_irred_Parquet_self_energy.f90 b/src/Parquet/R_irred_Parquet_self_energy.f90
index e385ff2..d0a0bbd 100644
--- a/src/Parquet/R_irred_Parquet_self_energy.f90
+++ b/src/Parquet/R_irred_Parquet_self_energy.f90
@@ -91,4 +91,4 @@ subroutine R_irred_Parquet_self_energy(nOrb,nC,nO,nV,nR,e,EcGM,SigC,Z)
! end do
! end do
-end subroutine R_irred_Parquet_self_energy
+end subroutine
diff --git a/src/Parquet/R_pp_singlet_Phi.f90 b/src/Parquet/R_pp_singlet_Phi.f90
index 740bb5a..e1ae594 100644
--- a/src/Parquet/R_pp_singlet_Phi.f90
+++ b/src/Parquet/R_pp_singlet_Phi.f90
@@ -41,4 +41,4 @@ subroutine R_pp_singlet_Phi(nOrb,nC,nR,nOO,nVV,ee_sing_Om,ee_sing_rho,hh_sing_Om
enddo
enddo
-end subroutine R_pp_singlet_Phi
+end subroutine
diff --git a/src/Parquet/R_pp_triplet_Phi.f90 b/src/Parquet/R_pp_triplet_Phi.f90
index 6dd7b1e..eaea4e2 100644
--- a/src/Parquet/R_pp_triplet_Phi.f90
+++ b/src/Parquet/R_pp_triplet_Phi.f90
@@ -41,4 +41,4 @@ subroutine R_pp_triplet_Phi(nOrb,nC,nR,nOO,nVV,ee_trip_Om,ee_trip_rho,hh_trip_Om
enddo
enddo
-end subroutine R_pp_triplet_Phi
+end subroutine
diff --git a/src/Parquet/R_screened_integrals.f90 b/src/Parquet/R_screened_integrals.f90
index 0b619d3..fca69ea 100644
--- a/src/Parquet/R_screened_integrals.f90
+++ b/src/Parquet/R_screened_integrals.f90
@@ -55,7 +55,7 @@ subroutine R_eh_singlet_screened_integral(nOrb,nC,nO,nR,nS,ERI,eh_sing_Phi,eh_tr
! !$OMP END DO
! !$OMP END PARALLEL
-end subroutine R_eh_singlet_screened_integral
+end subroutine
subroutine R_eh_triplet_screened_integral(nOrb,nC,nO,nR,nS,ERI,eh_sing_Phi,eh_trip_Phi,pp_sing_Phi,pp_trip_Phi,XpY,XmY,rho)
@@ -114,7 +114,7 @@ subroutine R_eh_triplet_screened_integral(nOrb,nC,nO,nR,nS,ERI,eh_sing_Phi,eh_tr
! !$OMP END DO
! !$OMP END PARALLEL
-end subroutine R_eh_triplet_screened_integral
+end subroutine
subroutine R_pp_singlet_screened_integral(nOrb,nC,nO,nR,nOO,nVV,ERI,eh_sing_Phi,eh_trip_Phi,X1,Y1,rho1,X2,Y2,rho2)
@@ -233,7 +233,7 @@ subroutine R_pp_singlet_screened_integral(nOrb,nC,nO,nR,nOO,nVV,ERI,eh_sing_Phi,
! !$OMP END DO
! !$OMP END PARALLEL
-end subroutine R_pp_singlet_screened_integral
+end subroutine
@@ -346,4 +346,4 @@ subroutine R_pp_triplet_screened_integral(nOrb,nC,nO,nR,nOO,nVV,ERI,eh_sing_Phi,
! !$OMP END DO
! !$OMP END PARALLEL
-end subroutine R_pp_triplet_screened_integral
+end subroutine
diff --git a/utils/create_function.sh b/utils/create_function.sh
index 1c124ff..387809e 100755
--- a/utils/create_function.sh
+++ b/utils/create_function.sh
@@ -34,7 +34,7 @@ echo "function ${NAME}() result(${RES})
! Initalization
-end function ${NAME}" > ${NAME}.f90
+end function " > ${NAME}.f90
fi
diff --git a/utils/create_subroutine.sh b/utils/create_subroutine.sh
index e2f2a49..ca4ef81 100755
--- a/utils/create_subroutine.sh
+++ b/utils/create_subroutine.sh
@@ -34,7 +34,7 @@ echo "subroutine ${NAME}()
! Initalization
-end subroutine ${NAME}" > ${NAME}.f90
+end subroutine" > ${NAME}.f90
fi