Merge pull request #55 from votca/no_md

junghans · web-flow · commit 0988c9a5b9dc · 2020-11-29T16:14:28.000-07:00
INSTALL.md -&gt; INSTALL.rst
diff --git a/GROMACS/KMC_Methane/GROMACS_KMC.ipynb b/GROMACS/KMC_Methane/GROMACS_KMC.ipynb
@@ -12,7 +12,7 @@
    "metadata": {},
    "source": [
     "## Requirements\n",
-    "* You will need to install **VOTCA** using the instructions described [here](https://github.com/votca/votca/blob/master/share/doc/INSTALL.md)\n",
+    "* You will need to install **VOTCA** using the instructions described [here](https://github.com/votca/votca/blob/master/share/doc/INSTALL.rst)\n",
     "* Once the installation is completed you need to activate the VOTCA enviroment by running the `VOTCARC.bash` script that has been installed at the `bin` subfolder for the path that you have provided for the installation step above"
    ]
   },
diff --git a/GROMACS/Methane/QMMM_GROMACS.ipynb b/GROMACS/Methane/QMMM_GROMACS.ipynb
@@ -20,7 +20,7 @@
    "metadata": {},
    "source": [
     "## Requirements\n",
-    "* You will need to install **VOTCA** using the instructions described [here](https://github.com/votca/votca/blob/master/share/doc/INSTALL.md)\n",
+    "* You will need to install **VOTCA** using the instructions described [here](https://github.com/votca/votca/blob/master/share/doc/INSTALL.rst)\n",
     "* Once the installation is completed you need to activate the VOTCA enviroment by running the `VOTCARC.bash` script that has been installed at the bin subfolder for the path that you have provided for the installation step above"
    ]
   },
@@ -157,7 +157,7 @@
    "cell_type": "markdown",
    "metadata": {},
    "source": [
-    "The `${VOTCASHARE}` environmental variable is set to the path that you provided during the `VOTCA` [installation](https://github.com/votca/votca/blob/master/share/doc/INSTALL.md), by the default is set to `/usr/local/votca`.\n",
+    "The `${VOTCASHARE}` environmental variable is set to the path that you provided during the `VOTCA` [installation](https://github.com/votca/votca/blob/master/share/doc/INSTALL.rst), by the default is set to `/usr/local/votca`.\n",
     "\n",
     "We need to update the `mapchecker` options with the file containing the definition of the system. For doing, so we will use the python module `xml_editor` that we have imported above. The first argument is the name of the calculator (i.e. `mapchecker`), the seconds argument is the name of the option to change and the third one, the value to use."
    ]
diff --git a/LAMMPS/KMC_Thiophene/LAMMPS_KMC.ipynb b/LAMMPS/KMC_Thiophene/LAMMPS_KMC.ipynb
@@ -12,7 +12,7 @@
    "metadata": {},
    "source": [
     "## Requirements\n",
-    "* You will need to install **VOTCA** using the instructions described [here](https://github.com/votca/votca/blob/master/share/doc/INSTALL.md)\n",
+    "* You will need to install **VOTCA** using the instructions described [here](https://github.com/votca/votca/blob/master/share/doc/INSTALL.rst)\n",
     "* Once the installation is completed you need to activate the VOTCA enviroment by running the `VOTCARC.bash` script that has been installed at the `bin` subfolder for the path that you have provided for the installation step above"
    ]
   },
diff --git a/LAMMPS/Thiophene/QMMM_LAMMPS.ipynb b/LAMMPS/Thiophene/QMMM_LAMMPS.ipynb
@@ -20,7 +20,7 @@
    "metadata": {},
    "source": [
     "## Requirements\n",
-    "* You will need to install **VOTCA** using the instructions described [here](https://github.com/votca/votca/blob/master/share/doc/INSTALL.md)\n",
+    "* You will need to install **VOTCA** using the instructions described [here](https://github.com/votca/votca/blob/master/share/doc/INSTALL.rst)\n",
     "* Once the installation is completed you need to activate the VOTCA enviroment by running the `VOTCARC.bash` script that has been installed at the bin subfolder for the path that you have provided for the installation step above"
    ]
   },
@@ -151,7 +151,7 @@
    "cell_type": "markdown",
    "metadata": {},
    "source": [
-    "The `${VOTCASHARE}` environmental variable is set to the path that you provided during the `VOTCA` [installation](https://github.com/votca/votca/blob/master/share/doc/INSTALL.md), by the default is set to `/usr/local/votca`.\n",
+    "The `${VOTCASHARE}` environmental variable is set to the path that you provided during the `VOTCA` [installation](https://github.com/votca/votca/blob/master/share/doc/INSTALL.rst), by the default is set to `/usr/local/votca`.\n",
     "\n",
     "We need to update the `mapchecker` options with the file containing the definition of the system. For doing, so we will use the python module `xml_editor` that we have imported above. The first argument is the name of the calculator (i.e. `mapchecker`), the seconds argument is the name of the option to change and the third one, the value to use."
    ]
diff --git a/tools/dftgwbse_CH4/DFTGWBSE_ENERGY.ipynb b/tools/dftgwbse_CH4/DFTGWBSE_ENERGY.ipynb
@@ -26,7 +26,7 @@
    "metadata": {},
    "source": [
     "## Requirements\n",
-    "* You will need to install **VOTCA** using the instructions described [here](https://github.com/votca/votca/blob/master/share/doc/INSTALL.md)\n",
+    "* You will need to install **VOTCA** using the instructions described [here](https://github.com/votca/votca/blob/master/share/doc/INSTALL.rst)\n",
     "* Once the installation is completed you need to activate the VOTCA enviroment by running the `VOTCARC.bash` script that has been installed at the bin subfolder for the path that you have provided for the installation step above"
    ]
   },
diff --git a/tools/dftgwbse_CO_geoopt/DFTGWBSE_OPTIMIZATION.ipynb b/tools/dftgwbse_CO_geoopt/DFTGWBSE_OPTIMIZATION.ipynb
@@ -20,7 +20,7 @@
    "metadata": {},
    "source": [
     "## Requirements\n",
-    "* You will need to install **VOTCA** using the instructions described [here](https://github.com/votca/votca/blob/master/share/doc/INSTALL.md)\n",
+    "* You will need to install **VOTCA** using the instructions described [here](https://github.com/votca/votca/blob/master/share/doc/INSTALL.rst)\n",
     "* Once the installation is completed you need to activate the VOTCA enviroment by running the `VOTCARC.bash` script that has been installed at the bin subfolder for the path that you have provided for the installation step above"
    ]
   },

Original file line number	Diff line number	Diff line change
`@@ -12,7 +12,7 @@`
`12`	`12`	`"metadata": {},`
`13`	`13`	`"source": [`
`14`	`14`	`"## Requirements\n",`
`15`		`- "* You will need to install VOTCA using the instructions described [here](https://github.com/votca/votca/blob/master/share/doc/INSTALL.md)\n",`
	`15`	`+ "* You will need to install VOTCA using the instructions described [here](https://github.com/votca/votca/blob/master/share/doc/INSTALL.rst)\n",`
`16`	`16`	"* Once the installation is completed you need to activate the VOTCA enviroment by running the `VOTCARC.bash` script that has been installed at the `bin` subfolder for the path that you have provided for the installation step above"
`17`	`17`	`]`
`18`	`18`	`},`
Original file line number	Diff line number	Diff line change
`@@ -26,7 +26,7 @@`
`26`	`26`	`"metadata": {},`
`27`	`27`	`"source": [`
`28`	`28`	`"## Requirements\n",`
`29`		`- "* You will need to install VOTCA using the instructions described [here](https://github.com/votca/votca/blob/master/share/doc/INSTALL.md)\n",`
	`29`	`+ "* You will need to install VOTCA using the instructions described [here](https://github.com/votca/votca/blob/master/share/doc/INSTALL.rst)\n",`
`30`	`30`	"* Once the installation is completed you need to activate the VOTCA enviroment by running the `VOTCARC.bash` script that has been installed at the bin subfolder for the path that you have provided for the installation step above"
`31`	`31`	`]`
`32`	`32`	`},`
Original file line number	Diff line number	Diff line change
`@@ -20,7 +20,7 @@`
`20`	`20`	`"metadata": {},`
`21`	`21`	`"source": [`
`22`	`22`	`"## Requirements\n",`
`23`		`- "* You will need to install VOTCA using the instructions described [here](https://github.com/votca/votca/blob/master/share/doc/INSTALL.md)\n",`
	`23`	`+ "* You will need to install VOTCA using the instructions described [here](https://github.com/votca/votca/blob/master/share/doc/INSTALL.rst)\n",`
`24`	`24`	"* Once the installation is completed you need to activate the VOTCA enviroment by running the `VOTCARC.bash` script that has been installed at the bin subfolder for the path that you have provided for the installation step above"
`25`	`25`	`]`
`26`	`26`	`},`