digichem-core 6.0.0rc1__py3-none-any.whl

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (111) hide show
  1. digichem/__init__.py +75 -0
  2. digichem/basis.py +116 -0
  3. digichem/config/README +3 -0
  4. digichem/config/__init__.py +5 -0
  5. digichem/config/base.py +321 -0
  6. digichem/config/locations.py +14 -0
  7. digichem/config/parse.py +90 -0
  8. digichem/config/util.py +117 -0
  9. digichem/data/README +4 -0
  10. digichem/data/batoms/COPYING +18 -0
  11. digichem/data/batoms/LICENSE +674 -0
  12. digichem/data/batoms/README +2 -0
  13. digichem/data/batoms/__init__.py +0 -0
  14. digichem/data/batoms/batoms-renderer.py +351 -0
  15. digichem/data/config/digichem.yaml +714 -0
  16. digichem/data/functionals.csv +15 -0
  17. digichem/data/solvents.csv +185 -0
  18. digichem/data/tachyon/COPYING.md +5 -0
  19. digichem/data/tachyon/LICENSE +30 -0
  20. digichem/data/tachyon/tachyon_LINUXAMD64 +0 -0
  21. digichem/data/vmd/common.tcl +468 -0
  22. digichem/data/vmd/generate_combined_orbital_images.tcl +70 -0
  23. digichem/data/vmd/generate_density_images.tcl +45 -0
  24. digichem/data/vmd/generate_dipole_images.tcl +68 -0
  25. digichem/data/vmd/generate_orbital_images.tcl +57 -0
  26. digichem/data/vmd/generate_spin_images.tcl +66 -0
  27. digichem/data/vmd/generate_structure_images.tcl +40 -0
  28. digichem/datas.py +14 -0
  29. digichem/exception/__init__.py +7 -0
  30. digichem/exception/base.py +133 -0
  31. digichem/exception/uncatchable.py +63 -0
  32. digichem/file/__init__.py +1 -0
  33. digichem/file/base.py +364 -0
  34. digichem/file/cube.py +284 -0
  35. digichem/file/fchk.py +94 -0
  36. digichem/file/prattle.py +277 -0
  37. digichem/file/types.py +97 -0
  38. digichem/image/__init__.py +6 -0
  39. digichem/image/base.py +113 -0
  40. digichem/image/excited_states.py +335 -0
  41. digichem/image/graph.py +293 -0
  42. digichem/image/orbitals.py +239 -0
  43. digichem/image/render.py +617 -0
  44. digichem/image/spectroscopy.py +797 -0
  45. digichem/image/structure.py +115 -0
  46. digichem/image/vmd.py +826 -0
  47. digichem/input/__init__.py +3 -0
  48. digichem/input/base.py +78 -0
  49. digichem/input/digichem_input.py +500 -0
  50. digichem/input/gaussian.py +140 -0
  51. digichem/log.py +179 -0
  52. digichem/memory.py +166 -0
  53. digichem/misc/__init__.py +4 -0
  54. digichem/misc/argparse.py +44 -0
  55. digichem/misc/base.py +61 -0
  56. digichem/misc/io.py +239 -0
  57. digichem/misc/layered_dict.py +285 -0
  58. digichem/misc/text.py +139 -0
  59. digichem/misc/time.py +73 -0
  60. digichem/parse/__init__.py +13 -0
  61. digichem/parse/base.py +220 -0
  62. digichem/parse/cclib.py +138 -0
  63. digichem/parse/dump.py +253 -0
  64. digichem/parse/gaussian.py +130 -0
  65. digichem/parse/orca.py +96 -0
  66. digichem/parse/turbomole.py +201 -0
  67. digichem/parse/util.py +523 -0
  68. digichem/result/__init__.py +6 -0
  69. digichem/result/alignment/AA.py +114 -0
  70. digichem/result/alignment/AAA.py +61 -0
  71. digichem/result/alignment/FAP.py +148 -0
  72. digichem/result/alignment/__init__.py +3 -0
  73. digichem/result/alignment/base.py +310 -0
  74. digichem/result/angle.py +153 -0
  75. digichem/result/atom.py +742 -0
  76. digichem/result/base.py +258 -0
  77. digichem/result/dipole_moment.py +332 -0
  78. digichem/result/emission.py +402 -0
  79. digichem/result/energy.py +323 -0
  80. digichem/result/excited_state.py +821 -0
  81. digichem/result/ground_state.py +94 -0
  82. digichem/result/metadata.py +644 -0
  83. digichem/result/multi.py +98 -0
  84. digichem/result/nmr.py +1086 -0
  85. digichem/result/orbital.py +647 -0
  86. digichem/result/result.py +244 -0
  87. digichem/result/soc.py +272 -0
  88. digichem/result/spectroscopy.py +514 -0
  89. digichem/result/tdm.py +267 -0
  90. digichem/result/vibration.py +167 -0
  91. digichem/test/__init__.py +6 -0
  92. digichem/test/conftest.py +4 -0
  93. digichem/test/test_basis.py +71 -0
  94. digichem/test/test_calculate.py +30 -0
  95. digichem/test/test_config.py +78 -0
  96. digichem/test/test_cube.py +369 -0
  97. digichem/test/test_exception.py +16 -0
  98. digichem/test/test_file.py +104 -0
  99. digichem/test/test_image.py +337 -0
  100. digichem/test/test_input.py +64 -0
  101. digichem/test/test_parsing.py +79 -0
  102. digichem/test/test_prattle.py +36 -0
  103. digichem/test/test_result.py +489 -0
  104. digichem/test/test_translate.py +112 -0
  105. digichem/test/util.py +207 -0
  106. digichem/translate.py +591 -0
  107. digichem_core-6.0.0rc1.dist-info/METADATA +96 -0
  108. digichem_core-6.0.0rc1.dist-info/RECORD +111 -0
  109. digichem_core-6.0.0rc1.dist-info/WHEEL +4 -0
  110. digichem_core-6.0.0rc1.dist-info/licenses/COPYING.md +10 -0
  111. digichem_core-6.0.0rc1.dist-info/licenses/LICENSE +11 -0
digichem_core-6.0.0rc1.dist-info/RECORD ADDED
@@ -0,0 +1,111 @@
1
+ digichem/__init__.py,sha256=AcSzlJyFoMshNTl184MFWDGKJuoU5WBhQnmdl7j-0tg,2293
2
+ digichem/basis.py,sha256=PDcfA8LuboEqLwMX4cktewdchxFJ5fMPdzR9-Ui16K4,4851
3
+ digichem/datas.py,sha256=t2PuQFvPb55WO_qVF3Xz67XNodQDimqYD26VkRPEWLA,433
4
+ digichem/log.py,sha256=tjl8Er16HUsAibBZGZMu8KyT0w53YM3u0Neh_l2jD9Q,6166
5
+ digichem/memory.py,sha256=jfeb1AYMOdm22vSKMHf01IDzRJCCoDnowh_OB38VVNM,5375
6
+ digichem/translate.py,sha256=d3rZl8iM7oq_AubCircuNJtjwuQZMYMwLUxnEPaDnbs,21009
7
+ digichem/config/README,sha256=0y5sxYPAmpD3XNzgJrr-U8xmiQbheC8bz8lvnNmsNtc,180
8
+ digichem/config/__init__.py,sha256=wXnmk1fuNZeHOKz06wBfTUkM8-XuW08F2H8QiHyS8Xs,227
9
+ digichem/config/base.py,sha256=6Lx6iZNZc4qveuLmnByRcHpJRlUjUdKjG5ZfkwBiAY0,24585
10
+ digichem/config/locations.py,sha256=Jlvql0KJrJEIO_2U6BRS5bjHelKjGGIETR9hOuNe0K0,584
11
+ digichem/config/parse.py,sha256=amJx89JXkkEyMMSYr5GvLFnLZO3hWahuZtNlx0F0PhA,2667
12
+ digichem/config/util.py,sha256=i5NgxLPcLx1RM4bArog77hsHxkQmwlqyzJbDtrozBG0,4613
13
+ digichem/data/README,sha256=0e46Uh0FmsWRlzx-F18cbBQXy-Lo8iJfD6Hye0c9EIU,207
14
+ digichem/data/functionals.csv,sha256=fIuNpFLT64B3PTqmNsj5IP6RSRw8PB5y_L9MpgoBo0w,281
15
+ digichem/data/solvents.csv,sha256=O1-Sv3KCayPvnuD9lviDK-YIolome0JxoBfjD784Kqs,4640
16
+ digichem/data/batoms/COPYING,sha256=cZepDmXS1dlBlf2hQ8Ez4mYUp1JkXhSISULqFMaU3-Y,848
17
+ digichem/data/batoms/LICENSE,sha256=ixuiBLtpoK3iv89l7ylKkg9rs2GzF9ukPH7ynZYzK5s,35148
18
+ digichem/data/batoms/README,sha256=WqRkTUFuvleDNkwra2vPwuiHYy9YoRNcT82oke4MftM,224
19
+ digichem/data/batoms/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
20
+ digichem/data/batoms/batoms-renderer.py,sha256=s4du61rA1LnSSWb2-MnW2eWBPOz2U6EjwnBbiXDUP0Y,13826
21
+ digichem/data/config/digichem.yaml,sha256=UhPTEvVssN2FVNCakkwGxrUeD9hXLVO1urSmGdfDjn4,30360
22
+ digichem/data/tachyon/COPYING.md,sha256=GRiBuwmAHaIlamBpWxTsyn_p04chI28RiRTAT3m8aXg,202
23
+ digichem/data/tachyon/LICENSE,sha256=pZ-1ttB2_3CeqjwekQHX6jlPIeFvX32KbyLFNoUJMhc,1532
24
+ digichem/data/tachyon/tachyon_LINUXAMD64,sha256=8KdHFe2ViI-ilZNelOTU3tfHND7H1GdUGcGZGwpaj14,210440
25
+ digichem/data/vmd/common.tcl,sha256=6LEH1D1yWS6Eqefg8JpCZvyopZrxGoIhG0aTpzUuuKM,14439
26
+ digichem/data/vmd/generate_combined_orbital_images.tcl,sha256=mDnJQmpuU2Iekykz8PGv_y2AHuYZ_-BiF-2DwrIiFqs,2520
27
+ digichem/data/vmd/generate_density_images.tcl,sha256=oQn-RS7nQOdpgN0aiMJUMJAOPwv-PqYzQ2AKCmHbdqY,1661
28
+ digichem/data/vmd/generate_dipole_images.tcl,sha256=7ys0S_xNBHOIA3BrU54Eb49U4o0hW3ngbrKh_q1yRAU,2534
29
+ digichem/data/vmd/generate_orbital_images.tcl,sha256=Y5QYFuTVMLRK0yN-9HU3id8bR2WSG3NXeEdBCYRCYe8,2106
30
+ digichem/data/vmd/generate_spin_images.tcl,sha256=yCHO7rXUEUj78YHqigJOf5F7jaEeZaat77u1kt_zj78,2504
31
+ digichem/data/vmd/generate_structure_images.tcl,sha256=88hlwqnJXTYY4C3-4RR8iKdQsZK98f-syw0U4_ZiNLY,1412
32
+ digichem/exception/__init__.py,sha256=CkTlww2tI3Cam58KcC39qe-5hxNPiNa6hRJGHZQPJqI,275
33
+ digichem/exception/base.py,sha256=aL_uEflTcRP-orNL_8RXizMVxXvTztpTDiqNmcVF2UE,4621
34
+ digichem/exception/uncatchable.py,sha256=OXVkRbzsFc_uzQwCnhor3HTsZv4VuuwfZxNyiIIhgx0,2498
35
+ digichem/file/__init__.py,sha256=vcDfoYlL0YbFcCyw-3D4SiGtA-hxkFKUtP30DO-JvqE,62
36
+ digichem/file/base.py,sha256=841-v2GWdba-o7BP0ZtLMFNyfEMDM2HvBTYiozuV_fI,17342
37
+ digichem/file/cube.py,sha256=kvNnyKHs0c0L-7LnYggvil-ciDEwNWAhOZT2-KgyP5s,13759
38
+ digichem/file/fchk.py,sha256=tWhp0daZPMlYmqkGkidUFwVHTA-8wCUf6Py6CNeT7tk,4035
39
+ digichem/file/prattle.py,sha256=ArydR-NJOLqdF0bZF_0UERV6gzuYVEaziIuLNTK-TMA,9724
40
+ digichem/file/types.py,sha256=PoaCBL1fmyufduWSgBkIwnZhGPVTc06ru5YFvuvk4Ug,3533
41
+ digichem/image/__init__.py,sha256=T9fN41dV0oZ7dT_MES7iYaFdPgzZM5R5hhIvvhlY8U4,133
42
+ digichem/image/base.py,sha256=6LGIYK2zB7lQxFhV5t2ZJPcpNMOqRv-JzrBJEeTF9Wg,5193
43
+ digichem/image/excited_states.py,sha256=1YUa8KYXTvh_Vwl2DSaRwpIh15FtW18KpjLlnD8VTOk,14103
44
+ digichem/image/graph.py,sha256=3wcembS3gcI5Ejq1lv4Sw1g_7s-fubDpiho_85kzkks,10880
45
+ digichem/image/orbitals.py,sha256=UcPnOm3tQOdTegsVm_a7AizVe7OpBCz_4sve6u7jAvA,9705
46
+ digichem/image/render.py,sha256=cL9UUHLNHbon7ayp_m0bNFwFXgW-MS9gOldh2r2oq28,26664
47
+ digichem/image/spectroscopy.py,sha256=wwguBYBwL8VNTJK5rBZbUiwaFHFLIaqBWYR3qbwDpAs,33567
48
+ digichem/image/structure.py,sha256=gxgX5cXA3BaqBh5K7UPcVGWX-yG5kc6Robf5sWT1IYM,4900
49
+ digichem/image/vmd.py,sha256=OqZJO08dpZWdqVav2-1GNxvxRmw6RdpF-jCvGS6wUpQ,39011
50
+ digichem/input/__init__.py,sha256=SxCeQkUNOalYu9oxhPGHQHX6s5CqBlSVuMUt7n-ywFw,165
51
+ digichem/input/base.py,sha256=9nxut3IlvKSYCjRUzpi7SdlaO_4MU8KWAecV-z3T1jo,3082
52
+ digichem/input/digichem_input.py,sha256=-uGcJtJrb55Y3uzAKiCI_pBENa_m0nmyhy9daFkgaq0,19670
53
+ digichem/input/gaussian.py,sha256=ZwfCA0jgHcY8JVcyyKmnchU-OyQ26-8ynQJdeYtNT7A,5651
54
+ digichem/misc/__init__.py,sha256=gRlflbkXYyKvqeQ2KTnNAdJ00S6Vhmk-tzSVCBSiWgk,162
55
+ digichem/misc/argparse.py,sha256=AG33L7MCi-ftb4XnvndQb4hKcorzJxESAVB0HIZRlcw,1371
56
+ digichem/misc/base.py,sha256=ZaeeLJrRZnF66bhkGdPvhsVGgxzcV_pneESQ1ReDedc,1884
57
+ digichem/misc/io.py,sha256=7rBn7JL3NavlHoyQ158fdH-DjXN7a8Rv0ddHeEucwT0,8098
58
+ digichem/misc/layered_dict.py,sha256=Psf30UmHVHAE95RnFYiR2f7oaW05CsUhT4FtXhUtQcw,15561
59
+ digichem/misc/text.py,sha256=FVcxf8ctt3D2yGFYgrZk3dpO48f_0aDhHiry_xGirD8,3673
60
+ digichem/misc/time.py,sha256=Z7FWpkb8gqBHVMXdhFiBWn2VwmXuU9uaMxEKsfAH5Kw,2214
61
+ digichem/parse/__init__.py,sha256=DRndmw3jzaN628wlcVxCHODb5vfJWfLoDEYFa2dD0hY,610
62
+ digichem/parse/base.py,sha256=pcwY3INemv7taplzAm2HkwYaQEIvyVVCaeXFgGraa1w,7959
63
+ digichem/parse/cclib.py,sha256=4-xRCUWj3kRs0MFmoHagbH_6veReKvyFwxNMAdIv0nA,5032
64
+ digichem/parse/dump.py,sha256=SeQNvtWXG2ntiXz0d2W7Ust_P5Xmf0ft3yZ9pRFT3jQ,9552
65
+ digichem/parse/gaussian.py,sha256=CxAEXkC_niSWVBo8BqpZ7BCLV90cI9ceacDTNiY-zms,5063
66
+ digichem/parse/orca.py,sha256=rJ5Rln8mBB7XQZURf9ocwNg4DS1DDA8CaA22CKsugMg,4613
67
+ digichem/parse/turbomole.py,sha256=3DJjXcfYw2RHL6bYbw9VUspYJ_dpVEiUVAartLAHlcI,9198
68
+ digichem/parse/util.py,sha256=ndeE3R_F-HlbI-dCXPEa7v_n7iVwwB7_aMoOju4tOxg,25097
69
+ digichem/result/__init__.py,sha256=FUNL2pc2bP3XNVFRrlyrTppVWEsPRHcThLiVytpsH84,222
70
+ digichem/result/angle.py,sha256=jehU0dRN4nALvUFzIdkh4GGQORq4lgXre8ZfFQMzB94,5043
71
+ digichem/result/atom.py,sha256=_YD0TNit7XPuRqHLpuqXifdx9d5fxYvfdJIxj0D_jxo,27554
72
+ digichem/result/base.py,sha256=SH4GAZt-6GsHihAUWLUXjnIhhp_jSmpebx2yJQkIr9M,9630
73
+ digichem/result/dipole_moment.py,sha256=Pbx9o3j7ZQB5vtZlvt5yhLrvKTXpC69EGlhTXj00HT4,11075
74
+ digichem/result/emission.py,sha256=0OPXNR1ZX9ALpjD0Ie5OkrOHNDDz6FsK3pK_0GyqqLI,19754
75
+ digichem/result/energy.py,sha256=53Dm2kHA-x8KtDY3Wq52cPbpE5E01W1lQTNaLe0goZE,10851
76
+ digichem/result/excited_state.py,sha256=gBPQsOxfdflyq8zJLKKyGgux01qS4O16GeW-Yjv8u_M,33930
77
+ digichem/result/ground_state.py,sha256=JMRBQ-MC2Ak8Ur-TXGzNkJtSVykkhswHPTOnttZFujE,3790
78
+ digichem/result/metadata.py,sha256=yef6aWUH3TmW5GgBeNJ5lxh9S04OtcxtMPkpP6OLB4I,26777
79
+ digichem/result/multi.py,sha256=IzupKHMcXTf6AReeUCjY9Szy2b4TdOHVtC2Tlb9xg0o,4330
80
+ digichem/result/nmr.py,sha256=u3qXZRrTBvUnfJexrtEHZLIyQ4dq_zFDXwcC2PoEGqQ,47263
81
+ digichem/result/orbital.py,sha256=6BX4GfnLJRj_AZs75FWPLFX6r0z9OL0OSh1v8EOHqws,28271
82
+ digichem/result/result.py,sha256=guhk_7oddxP2TPfSjalWBawp6Bde117m4YXt8LxpzAo,9712
83
+ digichem/result/soc.py,sha256=HMtjf7p7AP31AlGO2hrJ1K_dv4-HWZH0YcpJVUVgHxc,9921
84
+ digichem/result/spectroscopy.py,sha256=l36gpxLef9S-Gns9zf09-HQBALjnQEp0yEldztXw-1c,21328
85
+ digichem/result/tdm.py,sha256=YHy3GBir537dqEFoPlGKGZUZ7Mt9Fue3ghZ-j_sZBqc,10778
86
+ digichem/result/vibration.py,sha256=XXigp4ntsEOMjv9jTZNLPCj2obsdb3IMPf5xxHLhZH4,6431
87
+ digichem/result/alignment/AA.py,sha256=957GtXeaioyH1T6cBjK6Sf-W8a_3K9vR5fi8wttkKhk,4627
88
+ digichem/result/alignment/AAA.py,sha256=YSAhS0JWCmDnB5tHj1YLsNvSYpcg0FOfh2KNkcqeRxg,2811
89
+ digichem/result/alignment/FAP.py,sha256=so_eTIqdFIBVHinG_17tc4n-CS4A622r4RXndVkOxw4,6527
90
+ digichem/result/alignment/__init__.py,sha256=9OLZUCENNfsPb-_BWpRKY1y0YwPTE-Lh2Au30RrExoU,88
91
+ digichem/result/alignment/base.py,sha256=KY_uQxP5NYgU7hOW028FR63xqskf2I4-wnFC_YAVYJM,11811
92
+ digichem/test/__init__.py,sha256=5rcWC-jYpwJf9DZD3RUzsrZtQXGre0oFnaE3xKiZYlY,116
93
+ digichem/test/conftest.py,sha256=5_KcDWY_ZaSYgib-xlA4mvefTqjbAveipcm6ePtwQcw,124
94
+ digichem/test/test_basis.py,sha256=is1GdrWhmWJdA18fw1lagmbg8VGlX6_-LKOhjTcjHaQ,1720
95
+ digichem/test/test_calculate.py,sha256=Zvon7TlmVLwIvtaXXMmWJrkvljJ9zWZge6zIyjbx_N0,1486
96
+ digichem/test/test_config.py,sha256=JZGOpSAGQ70n4gGW4sCPCLycygtECOKejB9742nmnj0,2323
97
+ digichem/test/test_cube.py,sha256=y1Cr0cz00pwSWT-z-PgUQAzp41Ttsk_Ti_eQXagzO1Q,14110
98
+ digichem/test/test_exception.py,sha256=f-8XVQqq9gfJFpURjOoEfcC4pxieye8ZxvmguoN9QyY,530
99
+ digichem/test/test_file.py,sha256=n2BJ55_AjNY7IGEjHjJJ-OhE4Lgn3pGyyyfnPIduges,3682
100
+ digichem/test/test_image.py,sha256=x7ybEIeZg0E8ZQdkSzdy1cNWymYie6gWoTR8Q3ebcEQ,11516
101
+ digichem/test/test_input.py,sha256=TLGFxsSYGKTUSO5fxjZN2VqzDZFP3AHlbrE2JGmnq8g,1787
102
+ digichem/test/test_parsing.py,sha256=OAK3QJfHEehhhLF4Z75o5Fj-hKakfhrXtt5PRPnDY6c,3197
103
+ digichem/test/test_prattle.py,sha256=x-CeVX3Gbs5BHGndBGrtseGZwgUm3jamxstFijmKB5w,1033
104
+ digichem/test/test_result.py,sha256=BPo9-weVCBL_0dgcETDdWkQ20msCSDTStZ7tPB1t55o,24328
105
+ digichem/test/test_translate.py,sha256=daKoO9KPJ_e-5sceHP3fyjD12p6k_P1xzM6cbycQM9c,3574
106
+ digichem/test/util.py,sha256=R4lE1pg0SzpTbJIQnFh_ffeNb9jAnfFIhp-6F-_fX7Q,8576
107
+ digichem_core-6.0.0rc1.dist-info/METADATA,sha256=_EhrGVrkXUndKhDXq63ezQ4L5DvgVGpxwD01X4W7O_I,3933
108
+ digichem_core-6.0.0rc1.dist-info/WHEEL,sha256=zEMcRr9Kr03x1ozGwg5v9NQBKn3kndp6LSoSlVg-jhU,87
109
+ digichem_core-6.0.0rc1.dist-info/licenses/COPYING.md,sha256=d-yG6IJrlqLkuiuoOFe331YKzMRS05pnmk4e98gu9pQ,900
110
+ digichem_core-6.0.0rc1.dist-info/licenses/LICENSE,sha256=ZLlePQN2WLgdvmIGLEjjHtgIoneUGR2MgE9yjMg1JiY,1457
111
+ digichem_core-6.0.0rc1.dist-info/RECORD,,
digichem_core-6.0.0rc1.dist-info/WHEEL ADDED
@@ -0,0 +1,4 @@
1
+ Wheel-Version: 1.0
2
+ Generator: hatchling 1.24.2
3
+ Root-Is-Purelib: true
4
+ Tag: py3-none-any
digichem_core-6.0.0rc1.dist-info/licenses/COPYING.md ADDED
@@ -0,0 +1,10 @@
1
+ Copyright (C) 2024 Digichem.
2
+ The Digichem-core repository is free, open-source software.
3
+
4
+ The main code base is licensed under the BSD-3-Clause license, see [`LICENSE`](LICENSE) for full details.
5
+
6
+ Code distributed under the [`digichem/data/batoms`](digichem/data/batoms) directory is licensed separately under the GNU General Public License V3, see [`digichem/data/batoms/LICENSE`](digichem/data/batoms/LICENSE) for full license details.
7
+
8
+ The Digichem logo and banner is not licensed for use, and remains Copyright (C) 2024 Digichem.
9
+
10
+ Code distributed under the [`digichem/data/tachyon`](digichem/data/tachyon) directory is Copyright (c) 1994-2013 John E. Stone, and is licensed separately under the BSD-3-Clause license, see [`digichem/data/tachyon/LICENSE`](digichem/data/tachyon/LICENSE) for full license details. The Tachyon ray-tracer and John E. Stone are in no-way affiliated with Digichem.
digichem_core-6.0.0rc1.dist-info/licenses/LICENSE ADDED
@@ -0,0 +1,11 @@
1
+ Copyright 2024 Digichem
2
+
3
+ Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met:
4
+
5
+ 1. Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer.
6
+
7
+ 2. Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution.
8
+
9
+ 3. Neither the name of the copyright holder nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission.
10
+
11
+ THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS “AS IS” AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.