@@ -21,7 +21,7 @@ See python package page
2121Provides wrapper scripts with a simple installation and
2222allows to open unsupported file formats with ` cclib ` .
2323
24- ## Download [ ↑ ] ( #download )
24+ ## Download
2525``` bash
2626# uncomment your OS:
2727# OS=Linux
@@ -30,7 +30,7 @@ wget https://github.com/briling/v/releases/latest/download/v.${OS}.exe --output-
3030chmod +x ./v
3131```
3232
33- ## Build [ ↑ ] ( #contents )
33+ ## Build
3434
3535See build [ instructions] ( BUILD.md ) .
3636
@@ -39,7 +39,7 @@ See build [instructions](BUILD.md).
3939* ` GNU/Linux ` / ` Cygwin ` / ` macOS `
4040* ` X11 ` / ` XQuartz `
4141
42- ## Usage [ ↑ ] ( #contents )
42+ ## Usage
4343```
4444./v file [file2 ... fileN] [options]
4545```
@@ -247,10 +247,10 @@ Spherical confinement can be specified from the command-line by the following:
247247</details >
248248
249249
250- ## Examples [ ↑ ] ( #contents )
250+ ## Examples
251251* ` mol/C3H6~mCPBA_01x11.qm.out ` — geometries + vibrations
252252```
253- ./v mol/C3H6~mCPBA_01x11.qm.out
253+ ./v mol/C3H6~mCPBA_01x11.qm.out
254254```
255255![ Transition state mode animation] ( fig/C3H6~mCPBA_01x11.qm.out_01.gif )
256256```
@@ -259,22 +259,22 @@ Spherical confinement can be specified from the command-line by the following:
259259![ Transition state optimization] ( fig/C3H6~mCPBA_01x11.qm.out_03.png )
260260* ` mol/S8.qm.out ` — geometries
261261```
262- ./v mol/S8.qm.out z:1,1,2,0,0
262+ ./v mol/S8.qm.out z:1,1,2,0,0
263263```
264264![ S8 equilibrium structure] ( fig/S8.qm.out_69.png )
265265* ` mol/C10H16.qm.out ` — vibrations
266266```
267- ./v mol/C10H16.qm.out
267+ ./v mol/C10H16.qm.out
268268```
269269![ Adamantane mode animation] ( fig/C10H16.qm.out_72.gif )
270270* ` mol/1372_D02.340_1.out ` — PBC simulation
271271```
272- ./v mol/1372_D02.340_1.out bonds:0 cell:b10.7
272+ ./v mol/1372_D02.340_1.out bonds:0 cell:b10.7
273273```
274274![ Atoms in cell with PBC] ( fig/1372_D02.340_1.out_1024.gif )
275275* ` mol/mol0001.xyz ` , ` mol/mol0002.xyz ` — ` .xyz ` files with atomic numbers and atomic symbols
276276```
277- ./v mol/mol0001.xyz mol/mol0002.xyz symtol:1e-2
277+ ./v mol/mol0001.xyz mol/mol0002.xyz symtol:1e-2
278278```
279279![ Dimethyl ether structure] ( fig/mol0002.xyz_3.png )
280280
@@ -283,11 +283,11 @@ Spherical confinement can be specified from the command-line by the following:
283283./v mol/MOL_3525.ext.xyz
284284```
285285```
286- ./v mol/MOL_3525.xyz cell:8.929542,0.0,0.0,4.197206,8.892922,0.0,0.480945,2.324788,10.016044
286+ ./v mol/MOL_3525.xyz cell:8.929542,0.0,0.0,4.197206,8.892922,0.0,0.480945,2.324788,10.016044
287287```
288288![ Organic crystal cell] ( fig/MOL_3525.xyz_1.gif )
289289
290- * Currently two colorschemes are supported
290+ * Currently two colorschemes are supported
291291 (thanks to [ @iribirii ] ( https://github.com/iribirii ) )
292292```
293293v mol/periodic.in bonds:0 colors:v # default
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