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Fix basis set
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parent
069d673e0a
commit
c7f3d2674b
8
configure
vendored
8
configure
vendored
@ -180,7 +180,7 @@ if [[ "${PACKAGES}.x" != ".x" ]] ; then
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fi
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fi
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if [[ ${PACKAGES} = all ]] ; then
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if [[ ${PACKAGES} = all ]] ; then
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PACKAGES="zlib ninja zeromq f77zmq gmp ocaml docopt resultsFile bats"
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PACKAGES="zlib ninja zeromq f77zmq gmp ocaml docopt resultsFile bats bse"
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fi
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fi
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@ -354,12 +354,6 @@ echo " ||----w | "
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echo " || || "
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echo " || || "
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echo "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~"
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echo "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~"
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echo ""
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echo ""
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echo "If you have PIP, you can install the Basis Set Exchange command-line tool:"
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echo ""
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echo " ./configure -i bse"
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echo ""
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echo "This will enable the usage of qp_basis to install extra basis sets."
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echo ""
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echo ""
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echo ""
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printf "\e[m\n"
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printf "\e[m\n"
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@ -555,7 +555,7 @@ g 1 1.00
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g 1 1.00
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g 1 1.00
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1 0.457496 1.000000
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1 0.457496 1.000000
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MAGNESIUM
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MAGNESIUM
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s 9 1.00
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s 9 1.00
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1 0.030975 0.165290
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1 0.030975 0.165290
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2 0.062959 0.506272
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2 0.062959 0.506272
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