fix: fix invalid escape sequence

[njzjz]

Fix the warning below:

../../../../../opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/dpdata/fhi_aims/output.py:6
  /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/dpdata/fhi_aims/output.py:6: DeprecationWarning: invalid escape sequence '\|'
    latt_patt = "\|\s+([0-9]{1,}[.][0-9]*)\s+([0-9]{1,}[.][0-9]*)\s+([0-9]{1,}[.][0-9]*)"

../../../../../opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/dpdata/fhi_aims/output.py:7
  /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/dpdata/fhi_aims/output.py:7: DeprecationWarning: invalid escape sequence '\|'
    pos_patt_first = "\|\s+[0-9]{1,}[:]\s\w+\s(\w+)(\s.*[-]?[0-9]{1,}[.][0-9]*)(\s+[-]?[0-9]{1,}[.][0-9]*)(\s+[-]?[0-9]{1,}[.][0-9]*)"

../../../../../opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/dpdata/fhi_aims/output.py:8
  /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/dpdata/fhi_aims/output.py:8: DeprecationWarning: invalid escape sequence '\s'
    pos_patt_other = "\s+[a][t][o][m]\s+([-]?[0-9]{1,}[.][0-9]*)\s+([-]?[0-9]{1,}[.][0-9]*)\s+([-]?[0-9]{1,}[.][0-9]*)\s+(\w{1,2})"

../../../../../opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/dpdata/fhi_aims/output.py:9
  /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/dpdata/fhi_aims/output.py:9: DeprecationWarning: invalid escape sequence '\|'
    force_patt = "\|\s+[0-9]{1,}\s+([-]?[0-9]{1,}[.][0-9]*[E][+-][0-9]{1,})\s+([-]?[0-9]{1,}[.][0-9]*[E][+-][0-9]{1,})\s+([-]?[0-9]{1,}[.][0-9]*[E][+-][0-9]{1,})"

../../../../../opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/dpdata/fhi_aims/output.py:10
  /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/dpdata/fhi_aims/output.py:10: DeprecationWarning: invalid escape sequence '\s'
    eng_patt = "Total energy uncorrected.*([-]?[0-9]{1,}[.][0-9]*[E][+-][0-9]{1,})\s+eV"

../../../../../opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/dpdata/abacus/scf.py:41
  /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/dpdata/abacus/scf.py:41: DeprecationWarning: invalid escape sequence '\s'
    while len(re.split("\s+", lines[blk_idx])) == 0:

../../../../../opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/dpdata/abacus/scf.py:44
  /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/dpdata/abacus/scf.py:44: DeprecationWarning: invalid escape sequence '\s'
    if len(re.split("\s+", lines[blk_idx])) == 0 or lines[blk_idx] == "":

../../../../../opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/dpdata/abacus/scf.py:332
  /opt/hostedtoolcache/Python/3.11.9/x64/lib/python3.11/site-packages/dpdata/abacus/scf.py:332: DeprecationWarning: invalid escape sequence '\s'
    if len(re.split("\s+", geometry_inlines[iline])) >= 3:

[coderabbitai[bot]]

Walkthrough

## Walkthrough The modifications involve updating regular expression patterns across two Python files by introducing raw string literals. This change enhances the accuracy of pattern matching operations within functions that process text data. The adjustment ensures that special characters in regular expressions are interpreted correctly, improving the reliability of data parsing in the codebase. ## Changes | File Path | Change Summary | |----------------------------|----------------| | `dpdata/.../scf.py` | Updated regular expression patterns in functions `get_block` and `get_nele_from_stru` to use raw string literals for better pattern matching. | | `dpdata/.../output.py` | Added raw string (`r`) prefixes to regular expression patterns used in lattice, position, force, and energy calculations. |

---

Recent Review Details

**Configuration used: CodeRabbit UI** **Review profile: CHILL**

Commits

Files that changed from the base of the PR and between f69f6d4ab312b37b826a64ecc3881dc9e04e473d and 7a4ec3610d2b540f4c0f2e0c2ef73892c93ddf00.

Files selected for processing (2)

* dpdata/abacus/scf.py (2 hunks) * dpdata/fhi_aims/output.py (1 hunks)

Files skipped from review due to trivial changes (1)

* dpdata/fhi_aims/output.py

Additional Context Used

Ruff (7)

dpdata/abacus/scf.py (7)

26-26: Use format specifiers instead of percent format --- 94-94: Use format specifiers instead of percent format --- 134-134: Use format specifiers instead of percent format --- 370-370: Use format specifiers instead of percent format --- 374-374: Use format specifiers instead of percent format --- 383-383: Use format specifiers instead of percent format --- 388-388: Use format specifiers instead of percent format

Additional comments not posted (3)

dpdata/abacus/scf.py (3)

`41-41`: Correctly updated regular expression to raw string format. --- `44-44`: Correctly updated regular expression to raw string format. --- `332-332`: Correctly updated regular expression to raw string format.

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[codecov[bot]]

Codecov Report

Attention: Patch coverage is 75.00000% with 2 lines in your changes are missing coverage. Please review.

Project coverage is 83.67%. Comparing base (f69f6d4) to head (7a4ec36).

Files	Patch %	Lines
dpdata/abacus/scf.py	33.33%	2 Missing :warning:

Additional details and impacted files

```diff @@ Coverage Diff @@ ## devel #647 +/- ## ======================================= Coverage 83.67% 83.67% ======================================= Files 80 80 Lines 7006 7006 ======================================= Hits 5862 5862 Misses 1144 1144 ```

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