diff --git a/README.md b/README.md index e2eb7c5..6e23446 100644 --- a/README.md +++ b/README.md @@ -20,8 +20,8 @@ make test ``` ./qm qm_m.in .{in,out} ``` -#### command line options: -* `task:%s` - calculate energy (`energy`) or gradient (`grad`) +#### command-line options: +* `task:%s` – calculate energy (`energy`) or gradient (`grad`) * `conv:%lf` – scf convergence criterion (rms change in density matrix) * `it:%d,%d` – number of iterations / size of diis subspace * `print:%d` – printing options (`1` – default, `2` – print scf vectors, `3` – print atomic charges and bond orders) @@ -42,10 +42,10 @@ the file with the set of parameters `mol/*.in` – input files with molecular geometries, the format is described in `README` \[[1a]\]. -Our program reads the section `$molecule` only. +My program reads the section `$molecule` only. `mol/*.x.out` – -corresponding output files from our program. +corresponding output files from my program. `mol/*.p11.out` – corresponding output files from Priroda-11