Christian Neiss

Dielectric constants for benzene, toluene

4

Dear all, the dielectric constants implemented in xtb of benzene and toluene seem strange to me: both are set to 7.0 which is rather different from the literature values (benzene:...

logspace generates wrong results for integer arguments

3

### Description The logspace routine seems to generate wrong results when called with integer arguments. Here is an example code (essentially taken from the stdlib specs page [https://stdlib.fortran-lang.org/page/specs/stdlib_math.html#logspace-create-a-logarithmically-spaced-rank-one-array](https://stdlib.fortran-lang.org/page/specs/stdlib_math.html#logspace-create-a-logarithmically-spaced-rank-one-array)): ``` program...