diff --git a/plugins/Full_CI_ZMQ/selection.irp.f b/plugins/Full_CI_ZMQ/selection.irp.f index 32c635ec..22344a7b 100644 --- a/plugins/Full_CI_ZMQ/selection.irp.f +++ b/plugins/Full_CI_ZMQ/selection.irp.f @@ -42,7 +42,7 @@ subroutine assert(cond, msg) print *, "assert fail: "//msg stop end if -end subroutine +end subroutine get_mask_phase(det, phasemask) @@ -64,7 +64,7 @@ subroutine get_mask_phase(det, phasemask) end do end do end do -end subroutine +end subroutine select_connected(i_generator,E0,pt2,b,subset) @@ -92,7 +92,7 @@ subroutine select_connected(i_generator,E0,pt2,b,subset) enddo call select_doubles(i_generator,hole_mask,particle_mask,fock_diag_tmp,E0,pt2,b,subset) enddo -end subroutine +end double precision function get_phase_bi(phasemask, s1, s2, h1, p1, h2, p2) @@ -111,7 +111,7 @@ double precision function get_phase_bi(phasemask, s1, s2, h1, p1, h2, p2) if(s1 == s2 .and. max(h1, p1) > min(h2, p2)) np = np + 1_1 get_phase_bi = res(iand(np,1_1)) -end subroutine +end @@ -170,7 +170,7 @@ subroutine get_m2(gen, phasemask, bannedOrb, vect, mask, h, p, sp, coefs) vect(:, puti) += hij * coefs end if end if -end subroutine +end @@ -233,7 +233,7 @@ subroutine get_m1(gen, phasemask, bannedOrb, vect, mask, h, p, sp, coefs) call apply_particle(mask, sp, p1, det, ok, N_int) call i_h_j(gen, det, N_int, hij) vect(:, p1) += hij * coefs -end subroutine +end subroutine get_m0(gen, phasemask, bannedOrb, vect, mask, h, p, sp, coefs) @@ -259,7 +259,7 @@ subroutine get_m0(gen, phasemask, bannedOrb, vect, mask, h, p, sp, coefs) call i_h_j(gen, det, N_int, hij) vect(:, i) += hij * coefs end do -end subroutine +end subroutine select_doubles(i_generator,hole_mask,particle_mask,fock_diag_tmp,E0,pt2,buf,subset) use bitmasks @@ -471,7 +471,7 @@ subroutine select_doubles(i_generator,hole_mask,particle_mask,fock_diag_tmp,E0,p enddo enddo enddo -end subroutine +end @@ -537,7 +537,7 @@ subroutine fill_buffer_double(i_generator, sp, h1, h2, bannedOrb, banned, fock_d end if end do end do -end subroutine +end subroutine splash_pq(mask, sp, det, i_gen, N_sel, bannedOrb, banned, mat, interesting) @@ -612,7 +612,7 @@ subroutine splash_pq(mask, sp, det, i_gen, N_sel, bannedOrb, banned, mat, intere end if end if end do -end subroutine +end subroutine get_d2(gen, phasemask, bannedOrb, banned, mat, mask, h, p, sp, coefs) @@ -730,7 +730,7 @@ subroutine get_d2(gen, phasemask, bannedOrb, banned, mat, mask, h, p, sp, coefs) end if end if end if -end subroutine +end subroutine get_d1(gen, phasemask, bannedOrb, banned, mat, mask, h, p, sp, coefs) @@ -897,7 +897,7 @@ subroutine get_d1(gen, phasemask, bannedOrb, banned, mat, mask, h, p, sp, coefs) mat(:, p1, p2) += coefs * hij end do end do -end subroutine +end @@ -959,7 +959,7 @@ subroutine get_d0(gen, phasemask, bannedOrb, banned, mat, mask, h, p, sp, coefs) end do end do end if -end subroutine +end subroutine past_d1(bannedOrb, p) @@ -975,7 +975,7 @@ subroutine past_d1(bannedOrb, p) bannedOrb(p(i, s), s) = .true. end do end do -end subroutine +end subroutine past_d2(banned, p, sp) @@ -1000,7 +1000,7 @@ subroutine past_d2(banned, p, sp) end do end do end if -end subroutine +end @@ -1045,5 +1045,5 @@ subroutine spot_isinwf(mask, det, i_gen, N, banned, fullMatch, interesting) call bitstring_to_list(myMask(1,2), list(na+1), nb, N_int) banned(list(1), list(2)) = .true. end do genl -end subroutine +end diff --git a/src/Utils/sort.irp.f b/src/Utils/sort.irp.f index b0decc33..dd7fbc33 100644 --- a/src/Utils/sort.irp.f +++ b/src/Utils/sort.irp.f @@ -156,7 +156,7 @@ BEGIN_TEMPLATE iorder(i) = i0 enddo - end subroutine heap_$Xsort$big + end subroutine heap_$Xsort_big subroutine $Xsort(x,iorder,isize) implicit none @@ -248,7 +248,7 @@ BEGIN_TEMPLATE iorder(j+1_8) = i0 enddo - end subroutine insertion_$Xsort + end subroutine insertion_$Xsort_big subroutine $Xset_order_big(x,iorder,isize) implicit none