From 850c438956a0320a46b9002400ffb3544b5f6606 Mon Sep 17 00:00:00 2001 From: Thomas Applencourt Date: Wed, 9 May 2018 17:17:12 -0500 Subject: [PATCH 1/3] Change the url for GMP. The officiel website is down sometime --- configure | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/configure b/configure index 9f677e92..98970655 100755 --- a/configure +++ b/configure @@ -138,7 +138,7 @@ zeromq = Info( default_path=join(QP_ROOT_LIB, "libzmq.a")) gmp= Info( - url='https://gmplib.org/download/gmp/gmp-6.1.2.tar.bz2', + url='ftp://ftp.gnu.org/gnu/gmp/gmp-6.1.2.tar.bz2', description=' The GNU Multiple Precision Arithmetic Library', default_path=join(QP_ROOT_LIB, "libgmp.a")) From 156c797ec99cec12f8874edbfae0fc22dabd0c2d Mon Sep 17 00:00:00 2001 From: Kevin Gasperich Date: Thu, 17 May 2018 11:25:34 -0500 Subject: [PATCH 2/3] fixed incorrect indices in checking of reverse bielec indexing function (#233) --- src/Integrals_Bielec/map_integrals.irp.f | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/Integrals_Bielec/map_integrals.irp.f b/src/Integrals_Bielec/map_integrals.irp.f index 7d1714b0..85a2f954 100644 --- a/src/Integrals_Bielec/map_integrals.irp.f +++ b/src/Integrals_Bielec/map_integrals.irp.f @@ -100,7 +100,7 @@ subroutine bielec_integrals_index_reverse(i,j,k,l,i1) call bielec_integrals_index(i(ii),j(ii),k(ii),l(ii),i2) if (i1 /= i2) then print *, i1, i2 - print *, i(ii), j(jj), k(jj), l(jj) + print *, i(ii), j(ii), k(ii), l(ii) stop 'bielec_integrals_index_reverse failed' endif endif From bfb0c8732c03812fd77582cce81454ba006c8267 Mon Sep 17 00:00:00 2001 From: Kevin Gasperich Date: Tue, 22 May 2018 13:51:43 -0500 Subject: [PATCH 3/3] corrected conditional related to data types (#234) difference between out_val and tmp_val is integral_kind (instead of key_kind) --- src/Integrals_Bielec/map_integrals.irp.f | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/src/Integrals_Bielec/map_integrals.irp.f b/src/Integrals_Bielec/map_integrals.irp.f index 85a2f954..03f0f073 100644 --- a/src/Integrals_Bielec/map_integrals.irp.f +++ b/src/Integrals_Bielec/map_integrals.irp.f @@ -447,7 +447,7 @@ subroutine get_mo_bielec_integrals(j,k,l,sze,out_val,map) call bielec_integrals_index(i,j,k,l,hash(i)) enddo - if (key_kind == 8) then + if (integral_kind == 8) then call map_get_many(map, hash, out_val, sze) else call map_get_many(map, hash, tmp_val, sze) @@ -534,7 +534,7 @@ subroutine get_mo_bielec_integrals_coulomb_ii(k,l,sze,out_val,map) call bielec_integrals_index(k,i,l,i,hash(i)) enddo - if (key_kind == 8) then + if (integral_kind == 8) then call map_get_many(map, hash, out_val, sze) else call map_get_many(map, hash, tmp_val, sze) @@ -567,7 +567,7 @@ subroutine get_mo_bielec_integrals_exch_ii(k,l,sze,out_val,map) call bielec_integrals_index(k,i,i,l,hash(i)) enddo - if (key_kind == 8) then + if (integral_kind == 8) then call map_get_many(map, hash, out_val, sze) else call map_get_many(map, hash, tmp_val, sze)