Path |
Digest |
Size |
digichem/__init__.py |
sha256=rZhxVHshLofYYXZTPgc8Y4rCNrpcbPVn8RKtn1Dut0o
|
2287 |
digichem/basis.py |
sha256=khzIS9A_w8QH2vsXctWr16Bw5TA84_9_Fo-vuveP_5w
|
4875 |
digichem/datas.py |
sha256=t2PuQFvPb55WO_qVF3Xz67XNodQDimqYD26VkRPEWLA
|
433 |
digichem/log.py |
sha256=tjl8Er16HUsAibBZGZMu8KyT0w53YM3u0Neh_l2jD9Q
|
6166 |
digichem/memory.py |
sha256=jfeb1AYMOdm22vSKMHf01IDzRJCCoDnowh_OB38VVNM
|
5375 |
digichem/translate.py |
sha256=YKm7wko13A17zQJW8qOT52rzp9wDmR0GDzOepuzr75I
|
21326 |
digichem/config/README |
sha256=0y5sxYPAmpD3XNzgJrr-U8xmiQbheC8bz8lvnNmsNtc
|
180 |
digichem/config/__init__.py |
sha256=wXnmk1fuNZeHOKz06wBfTUkM8-XuW08F2H8QiHyS8Xs
|
227 |
digichem/config/base.py |
sha256=dd6ApHjM9UbkQ2wTDeMHaMwQkHlqvf35mdnb5HFLmcY
|
24585 |
digichem/config/locations.py |
sha256=Jlvql0KJrJEIO_2U6BRS5bjHelKjGGIETR9hOuNe0K0
|
584 |
digichem/config/parse.py |
sha256=amJx89JXkkEyMMSYr5GvLFnLZO3hWahuZtNlx0F0PhA
|
2667 |
digichem/config/util.py |
sha256=i5NgxLPcLx1RM4bArog77hsHxkQmwlqyzJbDtrozBG0
|
4613 |
digichem/data/README |
sha256=0e46Uh0FmsWRlzx-F18cbBQXy-Lo8iJfD6Hye0c9EIU
|
207 |
digichem/data/functionals.csv |
sha256=fIuNpFLT64B3PTqmNsj5IP6RSRw8PB5y_L9MpgoBo0w
|
281 |
digichem/data/solvents.csv |
sha256=O1-Sv3KCayPvnuD9lviDK-YIolome0JxoBfjD784Kqs
|
4640 |
digichem/data/batoms/COPYING |
sha256=cZepDmXS1dlBlf2hQ8Ez4mYUp1JkXhSISULqFMaU3-Y
|
848 |
digichem/data/batoms/LICENSE |
sha256=ixuiBLtpoK3iv89l7ylKkg9rs2GzF9ukPH7ynZYzK5s
|
35148 |
digichem/data/batoms/README |
sha256=WqRkTUFuvleDNkwra2vPwuiHYy9YoRNcT82oke4MftM
|
224 |
digichem/data/batoms/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
digichem/data/batoms/batoms-renderer.py |
sha256=BPgxBH4BlBaKzH6UYU933hR60YNGWr5sT-a4FXXiOpw
|
14168 |
digichem/data/config/digichem.yaml |
sha256=UhPTEvVssN2FVNCakkwGxrUeD9hXLVO1urSmGdfDjn4
|
30360 |
digichem/data/tachyon/COPYING.md |
sha256=GRiBuwmAHaIlamBpWxTsyn_p04chI28RiRTAT3m8aXg
|
202 |
digichem/data/tachyon/LICENSE |
sha256=pZ-1ttB2_3CeqjwekQHX6jlPIeFvX32KbyLFNoUJMhc
|
1532 |
digichem/data/tachyon/tachyon_LINUXAMD64 |
sha256=8KdHFe2ViI-ilZNelOTU3tfHND7H1GdUGcGZGwpaj14
|
210440 |
digichem/data/vmd/common.tcl |
sha256=6LEH1D1yWS6Eqefg8JpCZvyopZrxGoIhG0aTpzUuuKM
|
14439 |
digichem/data/vmd/generate_combined_orbital_images.tcl |
sha256=mDnJQmpuU2Iekykz8PGv_y2AHuYZ_-BiF-2DwrIiFqs
|
2520 |
digichem/data/vmd/generate_density_images.tcl |
sha256=oQn-RS7nQOdpgN0aiMJUMJAOPwv-PqYzQ2AKCmHbdqY
|
1661 |
digichem/data/vmd/generate_dipole_images.tcl |
sha256=7ys0S_xNBHOIA3BrU54Eb49U4o0hW3ngbrKh_q1yRAU
|
2534 |
digichem/data/vmd/generate_orbital_images.tcl |
sha256=Y5QYFuTVMLRK0yN-9HU3id8bR2WSG3NXeEdBCYRCYe8
|
2106 |
digichem/data/vmd/generate_spin_images.tcl |
sha256=yCHO7rXUEUj78YHqigJOf5F7jaEeZaat77u1kt_zj78
|
2504 |
digichem/data/vmd/generate_structure_images.tcl |
sha256=88hlwqnJXTYY4C3-4RR8iKdQsZK98f-syw0U4_ZiNLY
|
1412 |
digichem/exception/__init__.py |
sha256=CkTlww2tI3Cam58KcC39qe-5hxNPiNa6hRJGHZQPJqI
|
275 |
digichem/exception/base.py |
sha256=aL_uEflTcRP-orNL_8RXizMVxXvTztpTDiqNmcVF2UE
|
4621 |
digichem/exception/uncatchable.py |
sha256=OXVkRbzsFc_uzQwCnhor3HTsZv4VuuwfZxNyiIIhgx0
|
2498 |
digichem/file/__init__.py |
sha256=vcDfoYlL0YbFcCyw-3D4SiGtA-hxkFKUtP30DO-JvqE
|
62 |
digichem/file/base.py |
sha256=UZ3CjXEEBOzIqnnnG90wWicGQoIAYgo7GJsWohuSYPc
|
17342 |
digichem/file/cube.py |
sha256=kvNnyKHs0c0L-7LnYggvil-ciDEwNWAhOZT2-KgyP5s
|
13759 |
digichem/file/fchk.py |
sha256=tWhp0daZPMlYmqkGkidUFwVHTA-8wCUf6Py6CNeT7tk
|
4035 |
digichem/file/prattle.py |
sha256=LDayqA7TZVMJKekyl4laHePOCesfBcQ36ul0516OEfo
|
9927 |
digichem/file/types.py |
sha256=PoaCBL1fmyufduWSgBkIwnZhGPVTc06ru5YFvuvk4Ug
|
3533 |
digichem/image/__init__.py |
sha256=T9fN41dV0oZ7dT_MES7iYaFdPgzZM5R5hhIvvhlY8U4
|
133 |
digichem/image/base.py |
sha256=6LGIYK2zB7lQxFhV5t2ZJPcpNMOqRv-JzrBJEeTF9Wg
|
5193 |
digichem/image/excited_states.py |
sha256=1YUa8KYXTvh_Vwl2DSaRwpIh15FtW18KpjLlnD8VTOk
|
14103 |
digichem/image/graph.py |
sha256=3wcembS3gcI5Ejq1lv4Sw1g_7s-fubDpiho_85kzkks
|
10880 |
digichem/image/orbitals.py |
sha256=UcPnOm3tQOdTegsVm_a7AizVe7OpBCz_4sve6u7jAvA
|
9705 |
digichem/image/render.py |
sha256=cL9UUHLNHbon7ayp_m0bNFwFXgW-MS9gOldh2r2oq28
|
26664 |
digichem/image/spectroscopy.py |
sha256=wwguBYBwL8VNTJK5rBZbUiwaFHFLIaqBWYR3qbwDpAs
|
33567 |
digichem/image/structure.py |
sha256=gxgX5cXA3BaqBh5K7UPcVGWX-yG5kc6Robf5sWT1IYM
|
4900 |
digichem/image/vmd.py |
sha256=OqZJO08dpZWdqVav2-1GNxvxRmw6RdpF-jCvGS6wUpQ
|
39011 |
digichem/input/__init__.py |
sha256=SxCeQkUNOalYu9oxhPGHQHX6s5CqBlSVuMUt7n-ywFw
|
165 |
digichem/input/base.py |
sha256=9nxut3IlvKSYCjRUzpi7SdlaO_4MU8KWAecV-z3T1jo
|
3082 |
digichem/input/digichem_input.py |
sha256=dHpapTmDbAk93ve7UcgmiXZzC2PShhcYMJ9BBQF1ces
|
19664 |
digichem/input/gaussian.py |
sha256=ZwfCA0jgHcY8JVcyyKmnchU-OyQ26-8ynQJdeYtNT7A
|
5651 |
digichem/misc/__init__.py |
sha256=gRlflbkXYyKvqeQ2KTnNAdJ00S6Vhmk-tzSVCBSiWgk
|
162 |
digichem/misc/argparse.py |
sha256=AG33L7MCi-ftb4XnvndQb4hKcorzJxESAVB0HIZRlcw
|
1371 |
digichem/misc/base.py |
sha256=ZaeeLJrRZnF66bhkGdPvhsVGgxzcV_pneESQ1ReDedc
|
1884 |
digichem/misc/io.py |
sha256=7rBn7JL3NavlHoyQ158fdH-DjXN7a8Rv0ddHeEucwT0
|
8098 |
digichem/misc/layered_dict.py |
sha256=Psf30UmHVHAE95RnFYiR2f7oaW05CsUhT4FtXhUtQcw
|
15561 |
digichem/misc/text.py |
sha256=FVcxf8ctt3D2yGFYgrZk3dpO48f_0aDhHiry_xGirD8
|
3673 |
digichem/misc/time.py |
sha256=Z7FWpkb8gqBHVMXdhFiBWn2VwmXuU9uaMxEKsfAH5Kw
|
2214 |
digichem/parse/__init__.py |
sha256=DRndmw3jzaN628wlcVxCHODb5vfJWfLoDEYFa2dD0hY
|
610 |
digichem/parse/base.py |
sha256=pcwY3INemv7taplzAm2HkwYaQEIvyVVCaeXFgGraa1w
|
7959 |
digichem/parse/cclib.py |
sha256=4-xRCUWj3kRs0MFmoHagbH_6veReKvyFwxNMAdIv0nA
|
5032 |
digichem/parse/dump.py |
sha256=SeQNvtWXG2ntiXz0d2W7Ust_P5Xmf0ft3yZ9pRFT3jQ
|
9552 |
digichem/parse/gaussian.py |
sha256=8Vs07MnlboZiJDJ41dtfRwE2UBHOiVixY3-mQrcoioc
|
5251 |
digichem/parse/orca.py |
sha256=rJ5Rln8mBB7XQZURf9ocwNg4DS1DDA8CaA22CKsugMg
|
4613 |
digichem/parse/turbomole.py |
sha256=Tvwp-o-XBG_FEFXpakfOFNi2kUrCbEL0aVF5mCSX6Xw
|
9198 |
digichem/parse/util.py |
sha256=tcjGVRDESBXEVn680wr3VdqLWj_WoinqXgDFFzBJU-o
|
25494 |
digichem/result/__init__.py |
sha256=FUNL2pc2bP3XNVFRrlyrTppVWEsPRHcThLiVytpsH84
|
222 |
digichem/result/angle.py |
sha256=jehU0dRN4nALvUFzIdkh4GGQORq4lgXre8ZfFQMzB94
|
5043 |
digichem/result/atom.py |
sha256=KnXtWPvKNYnzMAw3G8USNwnoJzurXFSQmG1_JYwt8pA
|
27977 |
digichem/result/base.py |
sha256=SH4GAZt-6GsHihAUWLUXjnIhhp_jSmpebx2yJQkIr9M
|
9630 |
digichem/result/dipole_moment.py |
sha256=Pbx9o3j7ZQB5vtZlvt5yhLrvKTXpC69EGlhTXj00HT4
|
11075 |
digichem/result/emission.py |
sha256=0OPXNR1ZX9ALpjD0Ie5OkrOHNDDz6FsK3pK_0GyqqLI
|
19754 |
digichem/result/energy.py |
sha256=53Dm2kHA-x8KtDY3Wq52cPbpE5E01W1lQTNaLe0goZE
|
10851 |
digichem/result/excited_state.py |
sha256=gBPQsOxfdflyq8zJLKKyGgux01qS4O16GeW-Yjv8u_M
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33930 |
digichem/result/ground_state.py |
sha256=JMRBQ-MC2Ak8Ur-TXGzNkJtSVykkhswHPTOnttZFujE
|
3790 |
digichem/result/metadata.py |
sha256=ZfmXzXL6WFSFxe62TYlF5GEwzN3vWhD5iWorC3eZLV8
|
26890 |
digichem/result/multi.py |
sha256=IzupKHMcXTf6AReeUCjY9Szy2b4TdOHVtC2Tlb9xg0o
|
4330 |
digichem/result/nmr.py |
sha256=u3qXZRrTBvUnfJexrtEHZLIyQ4dq_zFDXwcC2PoEGqQ
|
47263 |
digichem/result/orbital.py |
sha256=6BX4GfnLJRj_AZs75FWPLFX6r0z9OL0OSh1v8EOHqws
|
28271 |
digichem/result/result.py |
sha256=guhk_7oddxP2TPfSjalWBawp6Bde117m4YXt8LxpzAo
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9712 |
digichem/result/soc.py |
sha256=HMtjf7p7AP31AlGO2hrJ1K_dv4-HWZH0YcpJVUVgHxc
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9921 |
digichem/result/spectroscopy.py |
sha256=l36gpxLef9S-Gns9zf09-HQBALjnQEp0yEldztXw-1c
|
21328 |
digichem/result/tdm.py |
sha256=YHy3GBir537dqEFoPlGKGZUZ7Mt9Fue3ghZ-j_sZBqc
|
10778 |
digichem/result/vibration.py |
sha256=XXigp4ntsEOMjv9jTZNLPCj2obsdb3IMPf5xxHLhZH4
|
6431 |
digichem/result/alignment/AA.py |
sha256=957GtXeaioyH1T6cBjK6Sf-W8a_3K9vR5fi8wttkKhk
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4627 |
digichem/result/alignment/AAA.py |
sha256=YSAhS0JWCmDnB5tHj1YLsNvSYpcg0FOfh2KNkcqeRxg
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2811 |
digichem/result/alignment/FAP.py |
sha256=so_eTIqdFIBVHinG_17tc4n-CS4A622r4RXndVkOxw4
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6527 |
digichem/result/alignment/__init__.py |
sha256=9OLZUCENNfsPb-_BWpRKY1y0YwPTE-Lh2Au30RrExoU
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digichem/result/alignment/base.py |
sha256=KY_uQxP5NYgU7hOW028FR63xqskf2I4-wnFC_YAVYJM
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11811 |
digichem/test/__init__.py |
sha256=5rcWC-jYpwJf9DZD3RUzsrZtQXGre0oFnaE3xKiZYlY
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116 |
digichem/test/conftest.py |
sha256=5_KcDWY_ZaSYgib-xlA4mvefTqjbAveipcm6ePtwQcw
|
124 |
digichem/test/test_basis.py |
sha256=is1GdrWhmWJdA18fw1lagmbg8VGlX6_-LKOhjTcjHaQ
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1720 |
digichem/test/test_calculate.py |
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1486 |
digichem/test/test_config.py |
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2323 |
digichem/test/test_cube.py |
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14110 |
digichem/test/test_exception.py |
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530 |
digichem/test/test_file.py |
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|
3682 |
digichem/test/test_image.py |
sha256=x7ybEIeZg0E8ZQdkSzdy1cNWymYie6gWoTR8Q3ebcEQ
|
11516 |
digichem/test/test_input.py |
sha256=TLGFxsSYGKTUSO5fxjZN2VqzDZFP3AHlbrE2JGmnq8g
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1787 |
digichem/test/test_parsing.py |
sha256=OAK3QJfHEehhhLF4Z75o5Fj-hKakfhrXtt5PRPnDY6c
|
3197 |
digichem/test/test_prattle.py |
sha256=x-CeVX3Gbs5BHGndBGrtseGZwgUm3jamxstFijmKB5w
|
1033 |
digichem/test/test_result.py |
sha256=BPo9-weVCBL_0dgcETDdWkQ20msCSDTStZ7tPB1t55o
|
24328 |
digichem/test/test_translate.py |
sha256=_3FkYottqHZGxMSTJkbcE8dQXhQlrNlVS0FjMopIwl4
|
3575 |
digichem/test/util.py |
sha256=R4lE1pg0SzpTbJIQnFh_ffeNb9jAnfFIhp-6F-_fX7Q
|
8576 |
digichem_core-6.1.0.dist-info/METADATA |
sha256=LnROFyuvQzGSNsT564mtd7xyCcONKXBDMUIuyFwGc48
|
4060 |
digichem_core-6.1.0.dist-info/WHEEL |
sha256=1yFddiXMmvYK7QYTqtRNtX66WJ0Mz8PYEiEUoOUUxRY
|
87 |
digichem_core-6.1.0.dist-info/licenses/COPYING.md |
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|
900 |
digichem_core-6.1.0.dist-info/licenses/LICENSE |
sha256=ZLlePQN2WLgdvmIGLEjjHtgIoneUGR2MgE9yjMg1JiY
|
1457 |
digichem_core-6.1.0.dist-info/RECORD |
— |
— |