LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-12-25 13:53:49 +01:00
Code Issues Releases Wiki Activity

merge master (#71)

Browse Source 
* Change the url for GMP. The officiel website is down sometime

* fixed incorrect indices in checking of reverse bielec indexing function (#233)
This commit is contained in:
Anthony Scemama 2018-05-22 14:56:43 +02:00 committed by GitHub
parent 470ad73484
commit 054421533f
No known key found for this signature in database
GPG Key ID: 4AEE18F83AFDEB23
2 changed files with 2 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
configure vendored
View File

@ -138,7 +138,7 @@ zeromq = Info(
default_path=join(QP_ROOT_LIB, "libzmq.a")) default_path=join(QP_ROOT_LIB, "libzmq.a"))
gmp= Info( 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', description=' The GNU Multiple Precision Arithmetic Library',
default_path=join(QP_ROOT_LIB, "libgmp.a")) default_path=join(QP_ROOT_LIB, "libgmp.a"))

2
src/Integrals_Bielec/map_integrals.irp.f
View File

@ -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) call bielec_integrals_index(i(ii),j(ii),k(ii),l(ii),i2)
if (i1 /= i2) then if (i1 /= i2) then
print *, i1, i2 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' stop 'bielec_integrals_index_reverse failed'
endif endif
endif endif