Diffcalc solver

[prjemian]

Create a solver backend for diffcalc from Diamond Light Source:

• https://github.com/DiamondLightSource/diffcalc
• https://github.com/DiamondLightSource/diffcalc-api

[prjemian]

• consider diffcalc as alternative back-end (solver) hklpy#163

[prjemian]

• https://github.com/DiamondLightSource/diffcalc-core

[prjemian]

diffcalc

Trying diffcalc on Windows with a local clone from github:

Python 3.10

conda create -y -n diffcalc "python=3.10" ipython
conda activate diffcalc
pip install -e .
# test
python -c "import numpy, diffcalc"

Basic installation passed. Next, try the quickstart demo: python -i -m startup.api.sixcircle

(diffcalc) C:\Users\Pete\Documents\projects\DiamondLightSource\diffcalc>python -i -m startup.api.sixcircle
Traceback (most recent call last):
  File "C:\Users\Pete\Apps\miniconda3\envs\diffcalc\lib\runpy.py", line 196, in _run_module_as_main
    return _run_code(code, main_globals, None,
  File "C:\Users\Pete\Apps\miniconda3\envs\diffcalc\lib\runpy.py", line 86, in _run_code
    exec(code, run_globals)
  File "C:\Users\Pete\Documents\projects\DiamondLightSource\diffcalc\startup\api\sixcircle.py", line 5, in <module>
    from diffcalc import settings
  File "C:\Users\Pete\Documents\projects\DiamondLightSource\diffcalc\diffcalc\settings.py", line 6, in <module>
    from diffcalc.ub.persistence import UbCalculationNonPersister
  File "C:\Users\Pete\Documents\projects\DiamondLightSource\diffcalc\diffcalc\ub\persistence.py", line 107
    except ImportError, e:
           ^^^^^^^^^^^^^^
SyntaxError: multiple exception types must be parenthesized

Python 2

This tip helped.

set PYTHONIOENCODING=UTF-8
conda create -y -n diffcalc -c defaults "python=2" ipython
conda activate diffcalc
pip install -e .

Failed: ERROR: Package 'decorator' requires a different Python: 2.7.18 not in '>=3.5'

Python 3.5

conda create -y -n diffcalc "python=3.5" ipython
conda activate diffcalc
pip install -e .
# test
python -c "import numpy, diffcalc"

Failed: SyntaxError: invalid syntax

(diffcalc) C:\Users\Pete\Documents\projects\DiamondLightSource\diffcalc>python -i -m startup.api.sixcircle
Traceback (most recent call last):
  File "C:\Users\Pete\Apps\miniconda3\envs\diffcalc\lib\runpy.py", line 193, in _run_module_as_main
    "__main__", mod_spec)
  File "C:\Users\Pete\Apps\miniconda3\envs\diffcalc\lib\runpy.py", line 85, in _run_code
    exec(code, run_globals)
  File "C:\Users\Pete\Documents\projects\DiamondLightSource\diffcalc\startup\api\sixcircle.py", line 5, in <module>
    from diffcalc import settings
  File "C:\Users\Pete\Documents\projects\DiamondLightSource\diffcalc\diffcalc\settings.py", line 6, in <module>
    from diffcalc.ub.persistence import UbCalculationNonPersister
  File "C:\Users\Pete\Documents\projects\DiamondLightSource\diffcalc\diffcalc\ub\persistence.py", line 107
    except ImportError, e:
                      ^
SyntaxError: invalid syntax
>>>

Summary: Need advice installing.

[prjemian]

diffcalc-core

• https://github.com/DiamondLightSource/diffcalc-core

Python 3.10 (Windows)

conda create -y -n diffcalc "python=3.10" ipython
conda activate diffcalc
pip install -e .
# test
python -i -m examples.six_circle

Wow, it worked!

Details

UBCalculation object representation.

UBCALC

   name:     sixcircle

REFERNCE

   n_hkl:      1.00000   0.00000   0.00000 <- set
   n_phi:      1.00000  -0.00000  -0.00000

SURFACE NORMAL

   n_hkl:      0.00000  -0.03173   0.99950
   n_phi:      0.00000   0.00000   1.00000 <- set

CRYSTAL

   name:          SiO2

   a, b, c:    4.91300   4.91300   5.40500
              90.00000  90.00000  90.00000  Tetragonal

   B matrix:   1.27889   0.00000   0.00000
               0.00000   1.27889   0.00000
               0.00000   0.00000   1.16248

UB MATRIX

   U matrix:   1.00000   0.00000   0.00000
               0.00000   0.99939   0.03490
               0.00000  -0.03490   0.99939

   miscut:
      angle:   2.00000
       axis:  -1.00000   0.00000   0.00000

   UB matrix:  1.27889   0.00000   0.00000
               0.00000   1.27811   0.04057
               0.00000  -0.04463   1.16177

REFLECTIONS

     ENERGY     H     K     L        MU    DELTA       NU      ETA      CHI      PHI  TAG
   1 12.398  0.00  0.00  1.00    7.3100   0.0000  10.6200   0.0000   0.0000   0.0000  refl1

CRYSTAL ORIENTATIONS

         H     K     L       X     Y     Z        MU    DELTA       NU      ETA      CHI      PHI  TAG
   1  0.00  1.00  0.00   0.00  1.00  0.00    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000  plane

UB matrix defined as a (3, 3) NumPy array.

array([[ 1.27888974e+00,  3.02327327e-32, -1.07719605e-32],
       [-2.12713344e-16,  1.27811068e+00,  4.05698436e-02],
       [-1.98358402e-16, -4.46326084e-02,  1.16176832e+00]])

hkl     : [0 0 1]
mu      :    7.31
delta   :    0.00
nu      :   10.62
eta     :    0.00
chi     :    0.00
phi     :   -0.00
------------------
theta   :    5.31
ttheta  :   10.62
qaz     :    0.00
alpha   :   -0.00
naz     :   90.00
tau     :   90.00
psi     :  -90.00
beta    :   -0.00
betain  :    7.31
betaout :    3.31

hkl     : [0 1 1]
mu      :   57.64
delta   :    0.00
nu      :   15.81
eta     :    0.00
chi     :   -0.00
phi     :    0.00
------------------
theta   :    7.91
ttheta  :   15.81
qaz     :    0.00
alpha   :   -0.00
naz     :   90.00
tau     :   90.00
psi     :  -90.00
beta    :   -0.00
betain  :   57.64
betaout :  -41.82

hkl     : [1 0 2]
mu      :   18.18
delta   :    0.00
nu      :   24.38
eta     :    0.00
chi     :  -28.30
phi     :   -8.85
------------------
theta   :   12.19
ttheta  :   24.38
qaz     :    0.00
alpha   :   -0.00
naz     :   60.46
tau     :   61.19
psi     :  -83.18
beta    :   11.74
betain  :   15.95
betaout :    5.46

Position -> hkl
mu      :    7.31
delta   :    0.00
nu      :   10.62
eta     :    0.00
chi     :    0.00
phi     :    0.00
------------------

hkl     : [0.0 0.0 1.0]


Constraining incident and exit angles w.r.t. reference vector to be equal (a_eq_b).
Scanning h and l indices in (1, 2) range with k = 0

hkl                   mu       delta       gamma         eta         chi         phi       alpha        beta       theta
------------------------------------------------------------------------------------------------------------------------
[1.0 0 1.0]        4.933       0.000      15.810       0.000      47.692     177.801       5.841       5.841       7.905
[1.0 0 1.1]        5.447       0.000      16.549       0.000      44.969     178.001       5.841       5.841       8.275
[1.0 0 1.2]        5.949       0.000      17.323       0.000      42.482     178.167       5.841       5.841       8.662
[1.0 0 1.3]        6.445       0.000      18.129       0.000      40.210     178.308       5.841       5.841       9.064
[1.0 0 1.4]        6.938       0.000      18.961       0.000      38.133     178.429       5.841       5.841       9.481
[1.0 0 1.5]        7.429       0.000      19.818       0.000      36.232     178.534       5.841       5.841       9.909
[1.0 0 1.6]        7.921       0.000      20.696       0.000      34.488     178.625       5.841       5.841      10.348
[1.0 0 1.7]        8.415       0.000      21.593       0.000      32.886     178.706       5.841       5.841      10.796
[1.0 0 1.8]        8.910       0.000      22.507       0.000      31.412     178.778       5.841       5.841      11.254
[1.0 0 1.9]        9.408       0.000      23.437       0.000      30.052     178.842       5.841       5.841      11.718
[1.0 0 2.0]        9.908       0.000      24.380       0.000      28.795     178.900       5.841       5.841      12.190
[1.1 0 1.0]        5.212       0.000      16.700       0.000      50.390     177.582       6.428       6.428       8.350
[1.1 0 1.1]        5.729       0.000      17.403       0.000      47.692     177.801       6.428       6.428       8.701
[1.1 0 1.2]        6.232       0.000      18.142       0.000      45.206     177.984       6.428       6.428       9.071
[1.1 0 1.3]        6.725       0.000      18.913       0.000      42.918     178.139       6.428       6.428       9.457
[1.1 0 1.4]        7.214       0.000      19.714       0.000      40.810     178.272       6.428       6.428       9.857
[1.1 0 1.5]        7.701       0.000      20.540       0.000      38.867     178.387       6.428       6.428      10.270
[1.1 0 1.6]        8.188       0.000      21.390       0.000      37.076     178.488       6.428       6.428      10.695
[1.1 0 1.7]        8.676       0.000      22.260       0.000      35.421     178.577       6.428       6.428      11.130
[1.1 0 1.8]        9.165       0.000      23.149       0.000      33.890     178.656       6.428       6.428      11.575
[1.1 0 1.9]        9.657       0.000      24.056       0.000      32.472     178.727       6.428       6.428      12.028
[1.1 0 2.0]       10.151       0.000      24.977       0.000      31.156     178.790       6.428       6.428      12.489
[1.2 0 1.0]        5.503       0.000      17.626       0.000      52.811     177.362       7.015       7.015       8.813
[1.2 0 1.1]        6.024       0.000      18.293       0.000      50.156     177.602       7.015       7.015       9.147
[1.2 0 1.2]        6.527       0.000      18.999       0.000      47.692     177.801       7.015       7.015       9.499
[1.2 0 1.3]        7.020       0.000      19.738       0.000      45.406     177.970       7.015       7.015       9.869
[1.2 0 1.4]        7.506       0.000      20.508       0.000      43.286     178.115       7.015       7.015      10.254
[1.2 0 1.5]        7.989       0.000      21.305       0.000      41.321     178.241       7.015       7.015      10.652
[1.2 0 1.6]        8.471       0.000      22.126       0.000      39.497     178.351       7.015       7.015      11.063
[1.2 0 1.7]        8.953       0.000      22.970       0.000      37.805     178.448       7.015       7.015      11.485
[1.2 0 1.8]        9.437       0.000      23.834       0.000      36.232     178.534       7.015       7.015      11.917
[1.2 0 1.9]        9.923       0.000      24.717       0.000      34.768     178.611       7.015       7.015      12.358
[1.2 0 2.0]       10.412       0.000      25.616       0.000      33.405     178.680       7.015       7.015      12.808
[1.3 0 1.0]        5.803       0.000      18.580       0.000      54.988     177.143       7.603       7.603       9.290
[1.3 0 1.1]        6.330       0.000      19.216       0.000      52.390     177.402       7.603       7.603       9.608
[1.3 0 1.2]        6.835       0.000      19.890       0.000      49.960     177.618       7.603       7.603       9.945
[1.3 0 1.3]        7.327       0.000      20.599       0.000      47.692     177.801       7.603       7.603      10.299
[1.3 0 1.4]        7.811       0.000      21.339       0.000      45.575     177.958       7.603       7.603      10.669
[1.3 0 1.5]        8.291       0.000      22.107       0.000      43.602     178.094       7.603       7.603      11.053
[1.3 0 1.6]        8.769       0.000      22.901       0.000      41.761     178.213       7.603       7.603      11.451
[1.3 0 1.7]        9.247       0.000      23.719       0.000      40.044     178.318       7.603       7.603      11.859
[1.3 0 1.8]        9.725       0.000      24.558       0.000      38.441     178.412       7.603       7.603      12.279
[1.3 0 1.9]       10.206       0.000      25.417       0.000      36.944     178.495       7.603       7.603      12.709
[1.3 0 2.0]       10.689       0.000      26.294       0.000      35.543     178.570       7.603       7.603      13.147
[1.4 0 1.0]        6.111       0.000      19.561       0.000      56.952     176.923       8.191       8.191       9.781
[1.4 0 1.1]        6.645       0.000      20.167       0.000      54.417     177.202       8.191       8.191      10.084
[1.4 0 1.2]        7.154       0.000      20.812       0.000      52.032     177.435       8.191       8.191      10.406
[1.4 0 1.3]        7.647       0.000      21.491       0.000      49.793     177.632       8.191       8.191      10.746
[1.4 0 1.4]        8.129       0.000      22.203       0.000      47.692     177.801       8.191       8.191      11.101
[1.4 0 1.5]        8.606       0.000      22.943       0.000      45.722     177.948       8.191       8.191      11.472
[1.4 0 1.6]        9.081       0.000      23.711       0.000      43.875     178.076       8.191       8.191      11.856
[1.4 0 1.7]        9.554       0.000      24.503       0.000      42.145     178.189       8.191       8.191      12.252
[1.4 0 1.8]       10.028       0.000      25.318       0.000      40.523     178.290       8.191       8.191      12.659
[1.4 0 1.9]       10.503       0.000      26.154       0.000      39.001     178.379       8.191       8.191      13.077
[1.4 0 2.0]       10.981       0.000      27.009       0.000      37.573     178.460       8.191       8.191      13.504
[1.5 0 1.0]        6.427       0.000      20.565       0.000      58.727     176.704       8.781       8.781      10.282
[1.5 0 1.1]        6.969       0.000      21.143       0.000      56.261     177.003       8.781       8.781      10.572
[1.5 0 1.2]        7.482       0.000      21.760       0.000      53.928     177.252       8.781       8.781      10.880
[1.5 0 1.3]        7.976       0.000      22.412       0.000      51.725     177.463       8.781       8.781      11.206
[1.5 0 1.4]        8.458       0.000      23.096       0.000      49.648     177.644       8.781       8.781      11.548
[1.5 0 1.5]        8.933       0.000      23.811       0.000      47.692     177.801       8.781       8.781      11.905
[1.5 0 1.6]        9.405       0.000      24.553       0.000      45.849     177.939       8.781       8.781      12.276
[1.5 0 1.7]        9.874       0.000      25.320       0.000      44.115     178.060       8.781       8.781      12.660
[1.5 0 1.8]       10.343       0.000      26.111       0.000      42.482     178.167       8.781       8.781      13.056
[1.5 0 1.9]       10.814       0.000      26.924       0.000      40.945     178.264       8.781       8.781      13.462
[1.5 0 2.0]       11.286       0.000      27.757       0.000      39.497     178.351       8.781       8.781      13.878
[1.6 0 1.0]        6.750       0.000      21.588       0.000      60.337     176.485       9.371       9.371      10.794
[1.6 0 1.1]        7.300       0.000      22.141       0.000      57.942     176.804       9.371       9.371      11.070
[1.6 0 1.2]        7.818       0.000      22.732       0.000      55.665     177.069       9.371       9.371      11.366
[1.6 0 1.3]        8.315       0.000      23.358       0.000      53.505     177.295       9.371       9.371      11.679
[1.6 0 1.4]        8.798       0.000      24.017       0.000      51.459     177.488       9.371       9.371      12.008
[1.6 0 1.5]        9.271       0.000      24.706       0.000      49.523     177.655       9.371       9.371      12.353
[1.6 0 1.6]        9.740       0.000      25.424       0.000      47.692     177.801       9.371       9.371      12.712
[1.6 0 1.7]       10.206       0.000      26.168       0.000      45.961     177.930       9.371       9.371      13.084
[1.6 0 1.8]       10.671       0.000      26.935       0.000      44.326     178.045       9.371       9.371      13.468
[1.6 0 1.9]       11.137       0.000      27.726       0.000      42.781     178.148       9.371       9.371      13.863
[1.6 0 2.0]       11.605       0.000      28.537       0.000      41.321     178.241       9.371       9.371      14.268
[1.7 0 1.0]        7.079       0.000      22.628       0.000      61.802     176.266       9.963       9.963      11.314
[1.7 0 1.1]        7.638       0.000      23.158       0.000      59.478     176.604       9.963       9.963      11.579
[1.7 0 1.2]        8.162       0.000      23.725       0.000      57.260     176.887       9.963       9.963      11.862
[1.7 0 1.3]        8.662       0.000      24.327       0.000      55.147     177.126       9.963       9.963      12.163
[1.7 0 1.4]        9.146       0.000      24.962       0.000      53.136     177.331       9.963       9.963      12.481
[1.7 0 1.5]        9.619       0.000      25.627       0.000      51.226     177.508       9.963       9.963      12.814
[1.7 0 1.6]       10.086       0.000      26.321       0.000      49.412     177.664       9.963       9.963      13.161
[1.7 0 1.7]       10.549       0.000      27.042       0.000      47.692     177.801       9.963       9.963      13.521
[1.7 0 1.8]       11.011       0.000      27.788       0.000      46.060     177.923       9.963       9.963      13.894
[1.7 0 1.9]       11.473       0.000      28.556       0.000      44.513     178.032       9.963       9.963      14.278
[1.7 0 2.0]       11.936       0.000      29.346       0.000      43.047     178.131       9.963       9.963      14.673
[1.8 0 1.0]        7.413       0.000      23.685       0.000      63.138     176.047      10.555      10.555      11.842
[1.8 0 1.1]        7.983       0.000      24.192       0.000      60.886     176.405      10.555      10.555      12.096
[1.8 0 1.2]        8.514       0.000      24.737       0.000      58.727     176.704      10.555      10.555      12.368
[1.8 0 1.3]        9.017       0.000      25.316       0.000      56.663     176.957      10.555      10.555      12.658
[1.8 0 1.4]        9.503       0.000      25.929       0.000      54.691     177.174      10.555      10.555      12.964
[1.8 0 1.5]        9.976       0.000      26.572       0.000      52.811     177.362      10.555      10.555      13.286
[1.8 0 1.6]       10.441       0.000      27.243       0.000      51.019     177.527      10.555      10.555      13.622
[1.8 0 1.7]       10.902       0.000      27.942       0.000      49.314     177.672      10.555      10.555      13.971
[1.8 0 1.8]       11.361       0.000      28.666       0.000      47.692     177.801      10.555      10.555      14.333
[1.8 0 1.9]       11.819       0.000      29.413       0.000      46.149     177.917      10.555      10.555      14.707
[1.8 0 2.0]       12.278       0.000      30.183       0.000      44.681     178.021      10.555      10.555      15.091
[1.9 0 1.0]        7.751       0.000      24.755       0.000      64.360     175.828      11.149      11.149      12.378
[1.9 0 1.1]        8.333       0.000      25.242       0.000      62.178     176.206      11.149      11.149      12.621
[1.9 0 1.2]        8.871       0.000      25.766       0.000      60.080     176.521      11.149      11.149      12.883
[1.9 0 1.3]        9.379       0.000      26.325       0.000      58.065     176.788      11.149      11.149      13.162
[1.9 0 1.4]        9.867       0.000      26.916       0.000      56.135     177.017      11.149      11.149      13.458
[1.9 0 1.5]       10.341       0.000      27.537       0.000      54.288     177.216      11.149      11.149      13.769
[1.9 0 1.6]       10.806       0.000      28.188       0.000      52.522     177.390      11.149      11.149      14.094
[1.9 0 1.7]       11.265       0.000      28.865       0.000      50.836     177.543      11.149      11.149      14.433
[1.9 0 1.8]       11.721       0.000      29.568       0.000      49.227     177.679      11.149      11.149      14.784
[1.9 0 1.9]       12.176       0.000      30.296       0.000      47.692     177.801      11.149      11.149      15.148
[1.9 0 2.0]       12.631       0.000      31.045       0.000      46.228     177.911      11.149      11.149      15.523
[2.0 0 1.0]        8.095       0.000      25.838       0.000      65.482     175.609      11.744      11.744      12.919
[2.0 0 1.1]        8.688       0.000      26.307       0.000      63.368     176.007      11.744      11.744      13.153
[2.0 0 1.2]        9.234       0.000      26.811       0.000      61.329     176.339      11.744      11.744      13.406
[2.0 0 1.3]        9.748       0.000      27.350       0.000      59.365     176.620      11.744      11.744      13.675
[2.0 0 1.4]       10.239       0.000      27.921       0.000      57.477     176.861      11.744      11.744      13.960
[2.0 0 1.5]       10.714       0.000      28.522       0.000      55.665     177.069      11.744      11.744      14.261
[2.0 0 1.6]       11.178       0.000      29.152       0.000      53.928     177.252      11.744      11.744      14.576
[2.0 0 1.7]       11.636       0.000      29.810       0.000      52.264     177.414      11.744      11.744      14.905
[2.0 0 1.8]       12.090       0.000      30.493       0.000      50.672     177.557      11.744      11.744      15.247
[2.0 0 1.9]       12.542       0.000      31.201       0.000      49.148     177.686      11.744      11.744      15.600
[2.0 0 2.0]       12.994       0.000      31.931       0.000      47.692     177.801      11.744      11.744      15.966


Scanning alpha incident angle w.r.t the reference vector.

alpha           mu       gamma         chi         phi       theta
-------------------------------------------------------------
 -0.00       7.308      10.616       0.000      -0.000       5.308
  1.00       7.308      10.616      -0.035       1.004       5.308
  2.00       7.307      10.616      -0.070       2.007       5.308
  3.00       7.305      10.616      -0.105       3.011       5.308
  4.00       7.303      10.616      -0.140       4.015       5.308
  5.00       7.300      10.616      -0.175       5.019       5.308
  6.00       7.297      10.616      -0.210       6.022       5.308
  7.00       7.293      10.616      -0.245       7.026       5.308
  8.00       7.288      10.616      -0.279       8.030       5.308
  9.00       7.283      10.616      -0.314       9.034       5.308
 10.00       7.277      10.616      -0.349      10.038       5.308


Scanning qaz, angle of the scattering plane azimuthal orientation

qaz             mu       delta       gamma         chi         phi         psi
------------------------------------------------------------------------------
 80.00      35.400      10.453       1.864      77.369      44.822    -100.044
 70.00      20.162       9.969       3.668      68.439      28.936    -100.044
 60.00      14.182       9.180       5.354      58.869      22.288    -100.044
 50.00      11.157       8.113       6.870      49.108      18.562    -100.044
 40.00       9.417       6.801       8.171      39.267      16.074    -100.044
 30.00       8.359       5.285       9.220      29.386      14.206    -100.044
 20.00       7.722       3.612       9.989      19.484      12.671    -100.044
 10.00       7.380       1.833      10.458       9.570      11.316    -100.044
  0.00       7.277       0.000      10.616      -0.349      10.038    -100.044


Scanning psi, reference vector azimuthal orientation angle

psi             mu       delta       gamma         eta         chi         phi         qaz
--------------------------------------------------------------------------------------------
 90.00     180.000      10.616       0.000      -3.308      90.000      -0.000      90.000
 80.00    -174.058      10.616       0.000      -3.356      90.000      15.926      90.000
 70.00    -168.711      10.616       0.000      -3.496      90.000      31.257      90.000
 60.00    -164.366      10.616       0.000      -3.713      90.000      45.587      90.000
 50.00    -161.183      10.616       0.000      -3.988      90.000      58.758      90.000
 40.00    -159.128      10.616       0.000      -4.303      90.000      70.801      90.000
 30.00    -158.071      10.616       0.000      -4.642      90.000      81.848      90.000
 20.00      22.149      10.616       0.000       4.990      90.000     -87.938      90.000
 10.00      21.689      10.616       0.000       5.336      90.000     -78.403      90.000
 -0.00      20.681      10.616       0.000       5.671      90.000     -69.412      90.000


Resetting crystal miscut to 0 (i.e. setting identity U matrix)

Recalculating UB matrix.

UBCALC

   name:     sixcircle

REFERNCE

   n_hkl:      1.00000   0.00000   0.00000 <- set
   n_phi:      1.00000   0.00000   0.00000

SURFACE NORMAL

   n_hkl:      0.00000   0.00000   1.00000
   n_phi:      0.00000   0.00000   1.00000 <- set

CRYSTAL

   name:          SiO2

   a, b, c:    4.91300   4.91300   5.40500
              90.00000  90.00000  90.00000  Tetragonal

   B matrix:   1.27889   0.00000   0.00000
               0.00000   1.27889   0.00000
               0.00000   0.00000   1.16248

UB MATRIX

   U matrix:   1.00000   0.00000   0.00000
               0.00000   1.00000   0.00000
               0.00000   0.00000   1.00000

   miscut angle:  0

   UB matrix:  1.27889   0.00000   0.00000
               0.00000   1.27889   0.00000
               0.00000   0.00000   1.16248

REFLECTIONS

     ENERGY     H     K     L        MU    DELTA       NU      ETA      CHI      PHI  TAG
   1 12.398  0.00  0.00  1.00    7.3100   0.0000  10.6200   0.0000   0.0000   0.0000  refl1

CRYSTAL ORIENTATIONS

         H     K     L       X     Y     Z        MU    DELTA       NU      ETA      CHI      PHI  TAG
   1  0.00  1.00  0.00   0.00  1.00  0.00    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000  plane


psi             mu       delta       gamma         eta         chi         phi         qaz
--------------------------------------------------------------------------------------------
 90.00     180.000      10.616       0.000      -5.308      90.000      -0.000      90.000
 80.00     180.000      10.616       0.000      -5.308      90.000      10.000      90.000
 70.00     180.000      10.616       0.000      -5.308      90.000      20.000      90.000
 60.00     180.000      10.616       0.000      -5.308      90.000      30.000      90.000
 50.00     180.000      10.616       0.000      -5.308      90.000      40.000      90.000
 40.00     180.000      10.616       0.000      -5.308      90.000      50.000      90.000
 30.00     180.000      10.616       0.000      -5.308      90.000      60.000      90.000
 20.00     180.000      10.616       0.000      -5.308      90.000      70.000      90.000
 10.00     180.000      10.616       0.000      -5.308      90.000      80.000      90.000
  0.00     180.000      10.616       0.000      -5.308      90.000      90.000      90.000
>>>

Python Latest -- 3.13 (Windows)

conda create -y -n diffcalc python" ipython
conda activate diffcalc
pip install -e .
# test
python -i -m examples.six_circle

Wow, it worked, same as above!

Summary: Focus on diffcalc-core

[prjemian]

Make this as separate project. Demonstrates how to write a custom solver plug-in.