Support FHI-aims geometry.in format

[awvwgk]

Also, includes improved error messages (applied for aims, xyz, vasp and gen formats)

# Testing: read-aims
  Starting valid1-aims ... (1/9)
       ... valid1-aims [PASSED]
  Starting valid2-aims ... (2/9)
       ... valid2-aims [PASSED]
  Starting valid3-aims ... (3/9)
       ... valid3-aims [PASSED]
  Starting valid4-aims ... (4/9)
       ... valid4-aims [PASSED]
  Starting valid5-aims ... (5/9)
       ... valid5-aims [PASSED]
  Starting invalid1-aims ... (6/9)
       ... invalid1-aims [EXPECTED FAIL]
  Message: Error: Cannot map symbol to atomic number
 --> (input):7:36-37
  |
7 | atom   -0.5203   -0.9011   -0.0000 hh
  |                                    ^^ unknown element
  |
  Starting invalid2-aims ... (7/9)
       ... invalid2-aims [EXPECTED FAIL]
  Message: Error: Unexpected keyword found
 --> (input):4:1-7
  |
4 | lattice    1.85 1.85 0.0
  | ^^^^^^^ invalid in this context
  |
  Starting invalid3-aims ... (8/9)
       ... invalid3-aims [EXPECTED FAIL]
  Message: Error: Cannot read lattice vectors
 --> (input):3:31-37
  |
3 | lattice_vector     0.00000    abcdefg    2.95812
  |                               ^^^^^^^ expected real value
  |
  Starting invalid4-aims ... (9/9)
       ... invalid4-aims [EXPECTED FAIL]
  Message: Error: No atoms found
 --> (input):5
  |
5 | 
  |^ expected atom specification
  |

[codecov[bot]]

Codecov Report

Merging #27 (f87c292) into main (922c4e0) will increase coverage by 0.18%. The diff coverage is 64.22%.

@@            Coverage Diff             @@
##             main      #27      +/-   ##
==========================================
+ Coverage   64.25%   64.43%   +0.18%     
==========================================
  Files          52       56       +4     
  Lines        4792     5281     +489     
  Branches     1561     1743     +182     
==========================================
+ Hits         3079     3403     +324     
- Misses        636      678      +42     
- Partials     1077     1200     +123     

Impacted Files	Coverage Δ
app/main.f90	0.00% <0.00%> (ø)
src/mctc/io/filetype.f90	43.18% <0.00%> (-3.16%)	:arrow_down:
src/mctc/io/read.f90	52.77% <0.00%> (-1.51%)	:arrow_down:
src/mctc/io/resize.f90	0.00% <0.00%> (ø)
src/mctc/io/write.f90	48.48% <0.00%> (+1.60%)	:arrow_up:
test/main.f90	31.03% <ø> (ø)
src/mctc/io/read/vasp.f90	55.37% <43.47%> (+1.80%)	:arrow_up:
src/mctc/io/read/xyz.f90	64.91% <50.00%> (-3.18%)	:arrow_down:
src/mctc/io/write/aims.f90	54.54% <54.54%> (ø)
test/test_write_aims.f90	57.14% <57.14%> (ø)
... and 9 more

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