From 5c7a4da88d6a235238d75aacc26059e660fae6ac Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Sat, 7 Jun 2014 16:44:37 +0200 Subject: [PATCH] Setup environment repaired --- setup_environment.sh | 7 +------ src/MonoInts/README.rst | 18 +++++++++--------- 2 files changed, 10 insertions(+), 15 deletions(-) diff --git a/setup_environment.sh b/setup_environment.sh index 176cc604..62b579ed 100755 --- a/setup_environment.sh +++ b/setup_environment.sh @@ -5,9 +5,6 @@ # Mon Apr 7 15:41:19 CEST 2014 QPACKAGE_ROOT=${PWD} -echo $QPACKAGE_ROOT -IRPF90=${QPACKAGE_ROOT}/irpf90/bin/irpf90 -echo $IRPF90 if [[ -z ${IRPF90} ]] ; then @@ -18,9 +15,7 @@ then echo "Error in IRPF90 installation" exit 1 fi - rm -rf EZFIO fi -echo $IRPF90 cat << EOF > quantum_package.rc export IRPF90=${IRPF90} @@ -39,6 +34,6 @@ fi if [[ ! -d ${QPACKAGE_ROOT}/EZFIO ]] then - echo "Error in EZFIO installation" + echo "Error in IRPF90 installation" exit 1 fi diff --git a/src/MonoInts/README.rst b/src/MonoInts/README.rst index 052e2053..a9bd07bc 100644 --- a/src/MonoInts/README.rst +++ b/src/MonoInts/README.rst @@ -91,34 +91,34 @@ Documentation `ao_nucl_elec_integral `_ interaction nuclear electron -`give_polynom_mult_center_mono_elec `_ +`give_polynom_mult_center_mono_elec `_ Undocumented -`i_x1_pol_mult_mono_elec `_ +`i_x1_pol_mult_mono_elec `_ Undocumented -`i_x2_pol_mult_mono_elec `_ +`i_x2_pol_mult_mono_elec `_ Undocumented -`int_gaus_pol `_ +`int_gaus_pol `_ Undocumented `nai_pol_mult `_ Undocumented -`v_e_n `_ +`v_e_n `_ Undocumented -`v_phi `_ +`v_phi `_ Undocumented -`v_r `_ +`v_r `_ Undocumented -`v_theta `_ +`v_theta `_ Undocumented -`wallis `_ +`wallis `_ Undocumented `mo_nucl_elec_integral `_