From 8245c7b3f7d304de1f2a83ed6158bd302688d134 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Sat, 19 Nov 2022 15:46:35 +0100 Subject: [PATCH] Revert 63a74c8 --- scripts/compilation/qp_create_ninja | 1 + src/ao_one_e_ints/pseudopot.f90 | 4 ++-- 2 files changed, 3 insertions(+), 2 deletions(-) diff --git a/scripts/compilation/qp_create_ninja b/scripts/compilation/qp_create_ninja index c0ba8c6a..0f70f4c4 100755 --- a/scripts/compilation/qp_create_ninja +++ b/scripts/compilation/qp_create_ninja @@ -121,6 +121,7 @@ def ninja_create_env_variable(pwd_config_file): l_string.append("LIB = {0} ".format(str_lib)) + l_string.append("CONFIG_FILE = {0}".format(pwd_config_file)) l_string.append("") return l_string diff --git a/src/ao_one_e_ints/pseudopot.f90 b/src/ao_one_e_ints/pseudopot.f90 index 67dda7b5..141292d8 100644 --- a/src/ao_one_e_ints/pseudopot.f90 +++ b/src/ao_one_e_ints/pseudopot.f90 @@ -1097,7 +1097,7 @@ implicit none integer nptsgridmax,nptsgrid double precision coefs_pseudo,ptsgrid parameter(nptsgridmax=50) -double precision common/pseudos/coefs_pseudo(nptsgridmax),ptsgrid(nptsgridmax,3) +common/pseudos/coefs_pseudo(nptsgridmax),ptsgrid(nptsgridmax,3) !!!!! integer npower_orb(3),l,m,i double precision x,g_orb,two_pi,dx,dphi,term,orb_phi,ylm_real,sintheta,r_orb,phi,center_orb(3) @@ -1238,7 +1238,7 @@ end double precision coefs_pseudo,ptsgrid double precision p,q,r,s parameter(nptsgridmax=50) - double precision common/pseudos/coefs_pseudo(nptsgridmax),ptsgrid(nptsgridmax,3) + common/pseudos/coefs_pseudo(nptsgridmax),ptsgrid(nptsgridmax,3) p=1.d0/dsqrt(2.d0) q=1.d0/dsqrt(3.d0)