diff --git a/debian/changelog b/debian/changelog index 28cbb4e..699d0f8 100644 --- a/debian/changelog +++ b/debian/changelog @@ -1,3 +1,9 @@ +votca-xtp (1.6.4-1) unstable; urgency=medium + + * New upstream release. + + -- Nicholas Breen Thu, 28 Jan 2021 21:45:40 -0800 + votca-xtp (1.6.3-1) unstable; urgency=medium * New upstream release. diff --git a/debian/control b/debian/control index 6e626e0..9b40696 100644 --- a/debian/control +++ b/debian/control @@ -18,9 +18,9 @@ libfftw3-dev, libhdf5-dev, libsqlite3-dev, - libvotca-csg-dev (>= 1.6.3), + libvotca-csg-dev (>= 1.6.4), libvotca-csg-dev (<< 1.7~), - libvotca-tools-dev (>= 1.6.3), + libvotca-tools-dev (>= 1.6.4), libvotca-tools-dev (<< 1.7~), libxc-dev, pkg-config, diff --git a/tutorials/GROMACS/Methane/QC_FILES/g09/anion_geo/polar/molpol.xml~ b/tutorials/GROMACS/Methane/QC_FILES/g09/anion_geo/polar/molpol.xml~ deleted file mode 100644 index d29b493..0000000 --- a/tutorials/GROMACS/Methane/QC_FILES/g09/anion_geo/polar/molpol.xml~ +++ /dev/null @@ -1,20 +0,0 @@ - - - - CH4_i.mps - CH4_i.mps - output.xml - - - 0.39000 - 0.35000 - 1024 - 0.00001 - - - true - 2.3191 0.0 0.0 2.3199 0.0 2.3204 - 0.00001 - - - diff --git a/tutorials/GROMACS/Methane/QC_FILES/g09/cation_geo/polar/molpol.xml~ b/tutorials/GROMACS/Methane/QC_FILES/g09/cation_geo/polar/molpol.xml~ deleted file mode 100644 index 6f9757e..0000000 --- a/tutorials/GROMACS/Methane/QC_FILES/g09/cation_geo/polar/molpol.xml~ +++ /dev/null @@ -1,20 +0,0 @@ - - - - CH4_h.mps - CH4_h.mps - output.xml - - - 0.39000 - 0.35000 - 1024 - 0.00001 - - - true - 1.4451 0.0 0.0 2.0267 0.0 2.0267 - 0.00001 - - - diff --git a/tutorials/GROMACS/Methane/QC_FILES/g09/neutral_geo/polar/molpol.xml~ b/tutorials/GROMACS/Methane/QC_FILES/g09/neutral_geo/polar/molpol.xml~ deleted file mode 100644 index b1444a7..0000000 --- a/tutorials/GROMACS/Methane/QC_FILES/g09/neutral_geo/polar/molpol.xml~ +++ /dev/null @@ -1,20 +0,0 @@ - - - - CH4_n.mps - CH4_n.mps - output.xml - - - 0.39000 - 0.35000 - 1024 - 0.00001 - - - true - 2.3191 0.0 0.0 2.3199 0.0 2.3204 - 0.00001 - - -