improved solvent handling (#15)
- added solvents dichloroethane and octane to solvents list
- print clearer warning if solvent is not parameterized for the respective solvent model (and a replacement solvent is employed)
- improved the automated SI generation (e.g. ALPB information)
- improved the printout of the available density functionals in the tutorial option crenso -tutorial
- added an option for the calculation of vapor_pressure in combination with crenso 1.0.4 and COSMO-RS
* vapor pressure calculation possible for COSMO-RS file same_solvents.json contains information on other needed solvent parameters
e.g.
{
"same":{
"cosmors": ["same", "same"],
"dcosmors": [null, "thf"],
"xtb": [null, "thf"],
"cpcm": [null, null],
"smd": [null, null],
"DC": 7.8
}
}