diff --git a/debian/changelog b/debian/changelog index cf3ec31..b38f89f 100644 --- a/debian/changelog +++ b/debian/changelog @@ -1,8 +1,8 @@ -votca-xtp (1.6.2-1) UNRELEASED; urgency=medium +votca-xtp (1.6.2-1) unstable; urgency=medium * New upstream release. - -- Nicholas Breen Wed, 26 Aug 2020 09:03:35 -0700 + -- Nicholas Breen Sat, 17 Oct 2020 16:03:03 -0700 votca-xtp (1.6.1-1) unstable; urgency=medium 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 - - -