version 1.4.8 bump and doc update

UPDATES.rst

@@ -1,5 +1,38 @@
 Updates
 =======
+Version 1.4.8
+-------------
+
+- **atomman.thermo** module added that provides tools and reference models
+  related to thermodynamic calculations.
+
+- **atomman.tools.vect_angle** updated to allow for comparisons of multiple
+  vector values at once.
+
+- **conventional_to_primitive** and **primitive_to_conventional** dump styles
+  added that convert between standard conventional and primitive unit cell
+  settings.  These were created to make it easy to generate compatible cells
+  in the two settings for performing crystal and lattice vector operations.
+
+- **atomman.tools.miller.vector_conventional_to_primitive** and 
+  **atomman.tools.miller.vector_primitive_to_conventional** transformation
+  operations for face-centered basis settings have been changed to coincide
+  with the new dump methods above.
+
+- **atomman.defect.VolterraDislocation** classes now support specifying the m
+  and n dislocation axes using str 'x', 'y', 'z' values.  The dislocation
+  transformation basis code is now integrated into the class as well.
+
+- **atomman.defect.Dislocation** A new init parameter ucell_setting allows for
+  the lattice setting of the ucell to be given so that all lattice vectors can
+  be used and explored rather than just integer crystal vectors relative to
+  ucell.  Also, a dipole method has been added that allows for the generation
+  of stable dislocation dipole atomic configurations.
+
+- **atomman.defect.Strain** bug fix related to numpy changing how irregular
+  arrays are represented.
+
+- **atomman.plot.interpolate_contour** figsize option fixed and improved.
 
 Version 1.4.7
 -------------

atomman/VERSION

@@ -1 +1 @@
-1.4.7
+1.4.8

doc/html/.buildinfo

@@ -1,4 +1,4 @@
 # Sphinx build info version 1
 # This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
-config: 3f0325d1a87689b5a095a917097b47e5
+config: d1398296d976c3e894f9cccd1949068a
 tags: 645f666f9bcd5a90fca523b33c5a78b7

doc/html/.doctrees/nbsphinx/tutorial/0._Unit_conversions.ipynb

@@ -46,8 +46,8 @@
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      "atomman version = 1.4.7\n",
-      "Notebook executed on 2022-10-12\n"
+      "atomman version = 1.4.8\n",
+      "Notebook executed on 2023-01-27\n"
      ]
     }
    ],
@@ -217,15 +217,15 @@
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      "angstrom = 5.470946841806242e-09\n",
-      "amu =      4.510557561965496e-26\n",
-      "eV =       8.435055464123283e-14\n",
-      "e =        3.360597535874564e-21\n",
-      "K =        0.0504215802651571\n",
-      "nm =       5.470946841806242e-08\n",
-      "g =        0.027163212553625662\n",
-      "J =        526474.7522290532\n",
-      "ps =       3.9297442446522326e-13\n"
+      "angstrom = 1.6280752818079513e-12\n",
+      "amu =      5.789636067997074e-29\n",
+      "eV =       3.579151131754351e-24\n",
+      "e =        3.2222950836805033e-20\n",
+      "K =        1.6791344609331385\n",
+      "nm =       1.6280752818079515e-11\n",
+      "g =        3.4866003362700256e-05\n",
+      "J =        2.2339304267711294e-05\n",
+      "ps =       6.431921641234102e-13\n"
      ]
     }
    ],
@@ -735,18 +735,18 @@
      "text": [
       "{\n",
       "  \"value\": [\n",
-      "    0.009059677392378203,\n",
-      "    0.02092901781300947,\n",
-      "    0.0300663893629268,\n",
-      "    0.03965579589591802,\n",
-      "    0.04926180462443053\n",
+      "    0.009065152165098182,\n",
+      "    0.0205193531713414,\n",
+      "    0.029214090438960005,\n",
+      "    0.04031568801568489,\n",
+      "    0.05094316759139896\n",
       "  ],\n",
       "  \"error\": [\n",
-      "    0.0020993830556601794,\n",
-      "    0.0019229896098040108,\n",
-      "    0.0020250869690036865,\n",
-      "    0.002094662715296287,\n",
-      "    0.002081642820740343\n",
+      "    0.0019813572940017257,\n",
+      "    0.001967916652935869,\n",
+      "    0.0020180649286272467,\n",
+      "    0.0019304948405234367,\n",
+      "    0.0019250795900354624\n",
       "  ],\n",
       "  \"unit\": \"m\"\n",
       "}\n"
@@ -783,8 +783,8 @@
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      "value = [ 9.05967739 20.92901781 30.06638936 39.6557959  49.26180462] mm\n",
-      "error = [2.09938306 1.92298961 2.02508697 2.09466272 2.08164282] mm\n"
+      "value = [ 9.06515217 20.51935317 29.21409044 40.31568802 50.94316759] mm\n",
+      "error = [1.98135729 1.96791665 2.01806493 1.93049484 1.92507959] mm\n"
      ]
     }
    ],
@@ -813,7 +813,7 @@
      "output_type": "stream",
      "text": [
       "57 atm = 0.005775525 GPa\n",
-      "57 atm = 0.005775524999999999 GPa\n"
+      "57 atm = 0.005775525 GPa\n"
      ]
     }
    ],
@@ -841,8 +841,8 @@
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      "57 s = 6.513941099627281e-05 GPa\n",
-      "57 s = 5.324981508581029e-09 GPa\n"
+      "57 s = 4.454248845977556e-16 GPa\n",
+      "57 s = 4.4378978064780807e-13 GPa\n"
      ]
     }
    ],

doc/html/.doctrees/nbsphinx/tutorial/1.1._Box_class.ipynb

@@ -44,8 +44,8 @@
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      "atomman version = 1.4.7\n",
-      "Notebook executed on 2022-10-12\n"
+      "atomman version = 1.4.8\n",
+      "Notebook executed on 2023-01-27\n"
      ]
     }
    ],
@@ -238,10 +238,10 @@
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      "avect =  [ 3.818,  2.197,  3.251]\n",
-      "bvect =  [ 3.146,  2.411,  1.483]\n",
-      "cvect =  [ 3.602,  3.433,  0.895]\n",
-      "origin = [ 0.851,  0.374,  0.026]\n"
+      "avect =  [ 1.662,  3.910,  3.732]\n",
+      "bvect =  [ 1.818,  0.447,  2.045]\n",
+      "cvect =  [ 2.744,  0.059,  0.661]\n",
+      "origin = [ 0.894,  0.322,  0.234]\n"
      ]
     }
    ],
@@ -751,26 +751,26 @@
      "name": "stdout",
      "output_type": "stream",
      "text": [
-      "[[9.92538439e+00 3.67388937e+00 8.15080341e-01]\n",
-      " [7.84715030e+00 5.02492524e+00 2.31453837e+00]\n",
-      " [1.21555567e+00 3.33212817e+00 3.45864733e+00]\n",
-      " [9.80388246e+00 9.25354273e+00 4.07008369e+00]\n",
-      " [4.28276904e-01 5.17137125e+00 3.75714590e+00]\n",
-      " [2.34259058e+00 7.79363205e-01 6.16529132e+00]\n",
-      " [1.76804922e+00 2.28172996e+00 6.74851726e+00]\n",
-      " [1.99069901e-01 3.91008975e+00 1.18556307e+00]\n",
-      " [5.27217835e-01 5.61015271e+00 1.91799015e+00]\n",
-      " [5.86447939e+00 3.99651340e+00 7.88848652e-01]\n",
-      " [8.38482117e+00 9.95421870e+00 3.68311338e+00]\n",
-      " [5.61937951e-01 1.14527502e+00 6.36603468e+00]\n",
-      " [7.93851813e+00 6.67648350e+00 2.05080341e-03]\n",
-      " [9.52124687e-01 8.49800990e+00 6.83636624e-01]\n",
-      " [8.57394917e+00 2.29781083e+00 7.34218280e+00]\n",
-      " [9.72131554e+00 2.36995591e+00 5.36944425e+00]\n",
-      " [8.89054598e+00 8.82012115e-01 2.09229875e+00]\n",
-      " [6.33270371e+00 3.28499296e+00 4.33739936e+00]\n",
-      " [1.99660770e+00 2.65680150e+00 1.65954511e+00]\n",
-      " [3.90067065e+00 2.78743393e+00 8.24058915e+00]]\n"
+      "[[1.74070727 8.66918196 6.42182555]\n",
+      " [0.54947855 8.98247496 1.77842325]\n",
+      " [8.21016054 7.64403012 2.35741817]\n",
+      " [9.52706553 8.44276562 7.28952289]\n",
+      " [8.28081618 0.43374871 9.00936321]\n",
+      " [0.12795354 3.81570766 3.68672317]\n",
+      " [1.23187404 5.32381245 8.03752623]\n",
+      " [6.24525094 7.01346796 7.3937727 ]\n",
+      " [2.50641755 8.17171589 0.19383807]\n",
+      " [2.71306594 3.64038916 9.71388488]\n",
+      " [8.68104432 7.78447395 5.70183837]\n",
+      " [3.33286587 1.96889681 0.54968902]\n",
+      " [7.18759972 6.02037467 9.44866049]\n",
+      " [9.77390879 3.93063882 1.56105651]\n",
+      " [4.43461394 3.07789405 8.9855505 ]\n",
+      " [5.13011361 5.35695335 4.26823854]\n",
+      " [7.66817295 9.98478882 2.07913434]\n",
+      " [5.76501255 7.31882359 2.86954951]\n",
+      " [3.02297012 2.89519725 9.92716695]\n",
+      " [5.43303343 9.48570629 5.71615022]]\n"
      ]
     }
    ],
@@ -790,11 +790,11 @@
      "output_type": "stream",
      "text": [
       "Points inside:\n",
-      "[ True  True  True False  True  True  True  True  True  True False  True\n",
-      "  True  True  True  True  True  True  True  True]\n",
+      "[ True  True  True  True  True  True  True  True  True  True  True  True\n",
+      "  True  True  True  True False  True  True False]\n",
       "Points outside:\n",
-      "[False False False  True False False False False False False  True False\n",
-      " False False False False False False False False]\n"
+      "[False False False False False False False False False False False False\n",
+      " False False False False  True False False  True]\n"
      ]
     }
    ],