Maximum force does not read correctly about rsgrad

[Ionizing]

This is a rsgrad bug raised by the incorrect nions:

Here

rsgrad/src/vasp_parsers/outcar.rs

Line 763 in 0eb3249

let len = self._data.len();

let len = self._data.len();
let dynamics = self._constraints.as_ref()
                   .unwrap_or(&vec![[true; 3]; len])
...

should be

let len = self._data[0].positions.len();
let dynamics = self._constraints.as_ref()
                    .unwrap_or(&vec![[true; 3]; len])
                    .iter()
...

Patch with the modification above, the rsgrad should produces correct Fmax information.

[2024-08-02T03:53:15Z INFO  rsgrad::commands::rlx] Parsing file "/Users/ionizing/Downloads/OUTCAR (1).txt" and "./POSCAR"
[2024-08-02T03:53:15Z WARN  rsgrad::commands::rlx] Reading constraints from POSCAR file "./POSCAR" failed
  #Step  TOTEN_z/eV LgdE   Fmax #SCF Time/m Mag/muB
      1 -1268.23087  3.1  0.151   51  50.06   NoMag
      2 -1268.23503 -2.4  0.215    6   6.10   NoMag
      3 -1268.23462 -3.4  0.287   10   9.37   NoMag
      4 -1268.23711 -2.6  0.123    9   8.16   NoMag
      5 -1268.23992 -2.6  0.168    6   6.31   NoMag
      6 -1268.24152 -2.8  0.109   11  10.26   NoMag
      7 -1268.24196 -3.4  0.124   15  12.90   NoMag
      8 -1268.24466 -2.6  0.118   11   9.64   NoMag
      9 -1268.24572 -3.0  0.208    7   7.07   NoMag
     10 -1268.24759 -2.7  0.109   10   9.49   NoMag
     11 -1268.24785 -3.6  0.150   10   9.88   NoMag
     12 -1268.25007 -2.7  0.088   13  11.87   NoMag
     13 -1268.25065 -3.2  0.200   14  12.22   NoMag
     14 -1268.25239 -2.8  0.080   14  12.14   NoMag
     15 -1268.25229 -4.0  0.134    9   8.08   NoMag
     16 -1268.25568 -2.5  0.096    6   6.26   NoMag
     17 -1268.25506 -3.2  0.105   10   9.30   NoMag
     18 -1268.25517 -3.9  0.210   10   9.14   NoMag
     19 -1268.25636 -2.9  0.145   15  12.85   NoMag
[2024-08-02T03:53:15Z INFO  rsgrad] Time used: 7.594309ms

[Ionizing]

Fixed via 7a0d159