configure

@@ -292,9 +292,6 @@ EOF
                 # Special commands for Travis CI
                 chmod +x "${QP_ROOT}"/external/opam_installer.sh
                 rm --force ${QP_ROOT}/bin/opam
-                if [[ -n ${NO_CACHE} ]] ; then
-                        rm -rf ${HOME}/.opam
-                fi
                 export OPAMROOT=${HOME}/.opam
                 cat << EOF | bash ${QP_ROOT}/external/opam_installer.sh --no-backup 
 ${QP_ROOT}/bin
@@ -315,19 +312,18 @@ EOF
             else
                 # Conventional commands
                 execute << EOF
-                  chmod +x "${QP_ROOT}"/external/opam_installer.sh
+                  chmod +x "\${QP_ROOT}"/external/opam_installer.sh
-                  "${QP_ROOT}"/external/opam_installer.sh --no-backup 
+                  "\${QP_ROOT}"/external/opam_installer.sh --no-backup 
 EOF
                 execute << EOF
-                  rm --force ${QP_ROOT}/bin/opam
+                  rm --force \${QP_ROOT}/bin/opam
-                  export OPAMROOT=${OPAMROOT:-${QP_ROOT}/external/opam}
+                  export OPAMROOT=\${OPAMROOT:-\${QP_ROOT}/external/opam}
-                  echo ${QP_ROOT}/bin \
+                  echo \${QP_ROOT}/bin \
-                  | sh ${QP_ROOT}/external/opam_installer.sh 
+                  | sh \${QP_ROOT}/external/opam_installer.sh 
 EOF
                 rm ${QP_ROOT}/external/opam_installer.sh
 #                source ${OPAMROOT}/opam-init/init.sh > /dev/null 2> /dev/null || true
 #                opam switch create ocaml-base-compiler.4.07.1     || exit 1
-
                 opam init --verbose --yes --compiler=4.07.1 --disable-sandboxing
                 eval $(opam env)
 EOF

docs/source/research.bib

@@ -1,6 +1,6 @@
 %%% ARXIV TO BE UPDATED %%%
 @article{Giner2019Jul,
-        author = {Giner, Emmanuel and Scemama, Anthony and Toulouse, Julien and Loos, Pierre-Fran{\c{c}}ois},
+        author = {Giner, Emmanuel and Scemama, Anthony and Toulouse, Julien and Loos, Pierre-Fran{\ifmmode\mbox{\c{c}}\else\c{c}\fi}ois},
         title = {{Chemically Accurate Excitation Energies With Small Basis Sets}},
         journal = {arXiv},
         year = {2019},
@@ -9,60 +9,29 @@
         url = {https://arxiv.org/abs/1907.01245}
 }
 
-
+@article{Dash2019May,
-@article{Burton_2019,
+        author = {Dash, Monika and Feldt, Jonas and Moroni, Saverio and Scemama, Anthony and Filippi, Claudia},
-        doi = {10.1021/acs.jctc.9b00441},
+        title = {{Excited states with selected CI-QMC: chemically accurate excitation energies and geometries}},
-        url = {https://doi.org/10.1021%2Facs.jctc.9b00441},
+        journal = {arXiv},
-        year = 2019,
+        year = {2019},
-        month = {aug},
+        month = {May},
-        publisher = {American Chemical Society ({ACS})},
+        eprint = {1905.06737},
-        author = {Hugh G. A. Burton and Alex J.W. Thom},
+        url = {https://arxiv.org/abs/1905.06737}
-        title = {A General Approach for Multireference Ground and Excited States using Non-Orthogonal Configuration Interaction},
-        journal = {Journal of Chemical Theory and Computation}
 }
 
-
+@article{Burton2019May,
-@article{Dash_2019,
+        author = {Burton, Hugh G. A. and Thom, Alex J. W.},
-        doi = {10.1021/acs.jctc.9b00476},
+        title = {{A General Approach for Multireference Ground and Excited States using Non-Orthogonal Configuration Interaction}},
-        url = {https://doi.org/10.1021%2Facs.jctc.9b00476},
+        journal = {arXiv},
-        year = 2019,
+        year = {2019},
-        month = {aug},
+        month = {May},
-        publisher = {American Chemical Society ({ACS})},
+        eprint = {1905.02626},
-        author = {Monika Dash and Jonas Feldt and Saverio Moroni and Anthony Scemama and Claudia Filippi},
+        url = {https://arxiv.org/abs/1905.02626}
-        title = {Excited States with Selected Configuration Interaction-Quantum Monte Carlo: Chemically Accurate Excitation Energies and Geometries},
-        journal = {Journal of Chemical Theory and Computation}
 }
 
 
 
 %%%% PUBLISHED PAPERS
-@article{Ferte_2019,
-        doi = {10.1063/1.5082638},
-        url = {https://doi.org/10.1063%2F1.5082638},
-        year = 2019,
-        month = {feb},
-        publisher = {{AIP} Publishing},
-        volume = {150},
-        number = {8},
-        pages = {084103},
-        author = {Anthony Fert{\'{e}} and Emmanuel Giner and Julien Toulouse},
-        title = {Range-separated multideterminant density-functional theory with a short-range correlation functional of the on-top pair density},
-}
-
-@article{Caffarel_2019,
-        doi = {10.1063/1.5114703},
-        url = {https://doi.org/10.1063%2F1.5114703},
-        year = 2019,
-        month = {aug},
-        publisher = {{AIP} Publishing},
-        volume = {151},
-        number = {6},
-        pages = {064101},
-        author = {Michel Caffarel},
-        title = {Evaluating two-electron-repulsion integrals over arbitrary orbitals using zero variance Monte Carlo: Application to full configuration interaction calculations with Slater-type orbitals},
-        journal = {The Journal of Chemical Physics}
-}
-
 @article{Loos_2019,
         doi = {10.1021/acs.jpclett.9b01176},
         url = {https://doi.org/10.1021%2Facs.jpclett.9b01176},