| Path |
Digest |
Size |
| raachem/__init__.py |
sha256=GpNfAbRy4h9z6irLkwi71Dr19NNjFqUpA4PThz0C_kg
|
371 |
| raachem/__main__.py |
sha256=qpUasHyAENlqkpUkM7vc8_Sle08BwdrCzLhaIXgihjE
|
448 |
| raachem/file_class/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
| raachem/file_class/gjf.py |
sha256=d5RJCQEeYDtJoKp9nJsMEoRktoohrOeaicpEcsUWSx0
|
8163 |
| raachem/file_class/inp.py |
sha256=UfG1G58pWt1dquM4vOsOLM-3XBEe1TJ5m5edZJ6g8hg
|
5554 |
| raachem/file_class/log.py |
sha256=AsnwA06q2pUTsN07jzO1Pm2GEcJQZ9ZJvyBwmdUrjcY
|
23770 |
| raachem/file_class/xyz.py |
sha256=HHMXH1tujer9gLuGazrx-w70Xtf_vnVXRFShXDqRRPw
|
14196 |
| raachem/file_creator/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
| raachem/file_creator/deploy_scripts.py |
sha256=EhGaazgA1X22X90kfDvlBaIjykM6fiZynWpcq6EXfXo
|
986 |
| raachem/file_creator/e_analysis.py |
sha256=Hs9DCGK3hmU6WmUsRurs279VN2_EE67gX-86iZ4J_UI
|
11096 |
| raachem/file_creator/input.py |
sha256=OAAzdxtl7A_ou8B7_WBTiyXlr_SHfai1Jm4NcuBVZjs
|
19039 |
| raachem/file_creator/xyz.py |
sha256=zem2V5jczElb9OnFVOKaBRfLvU2TL7vs5uWymBjL680
|
11224 |
| raachem/file_creator/builtin_templates/DLNPO_CCSDT.ORCA |
sha256=cnTnzVvezX9ZrTcnlNEbH9eysk2J2P1yCI-1bXvpdQk
|
123 |
| raachem/file_creator/builtin_templates/IRC.GAUSSIAN |
sha256=wwR5sCuLrAD1m1LXUzRxOQa7yOnitZKfGn7-uHNyiiw
|
289 |
| raachem/file_creator/builtin_templates/OPT_FREQ.GAUSSIAN |
sha256=LslEW2D_q62JQfeM75Q-WuuUzAtOnmCLlffs62WqPo4
|
274 |
| raachem/file_creator/builtin_templates/READ_ATOMS.GAUSSIAN |
sha256=-y0ebl6QrYDS1HRehY_nERNZOU8JjmBLcubAJ7WVf3o
|
286 |
| raachem/file_creator/builtin_templates/READ_NOTATOMS.GAUSSIAN |
sha256=sRS5JG5X4PwbMuKSH0JSjki7faItwsxcUROX1qMZw4k
|
277 |
| raachem/file_creator/builtin_templates/SCAN_APROX.GAUSSIAN |
sha256=1DU5f0Pm8AgohVGBKQAIwBubCBOniEp35zfoxacjggo
|
278 |
| raachem/file_creator/builtin_templates/SCAN_DIHEDRAL.GAUSSIAN |
sha256=-ekdfiWXVNFn82_bl5eG27pQBQrvHAGLG7Gi5E68cX8
|
272 |
| raachem/file_creator/builtin_templates/SCAN_DIST.GAUSSIAN |
sha256=M-9JiiYZDVVlamWk6IhqiwwYbICxutPTL2vm3Bqi-r4
|
277 |
| raachem/file_creator/builtin_templates/SP_BASIS.GAUSSIAN |
sha256=RsIh-LeaYvJa16T37Lw8d1lkXIqZrNQhKzS1iGJaJA0
|
191 |
| raachem/file_creator/builtin_templates/SP_def2TZVP.GAUSSIAN |
sha256=zJrgv2k6jNPNkWdl8r2LHsJoEDinagCXkAH1vqqSnUM
|
150 |
| raachem/file_creator/builtin_templates/TS_FREQ.GAUSSIAN |
sha256=xVpOanxbOppTruqh-lAEbfwrQmuI_dLDFvVl98QTI88
|
308 |
| raachem/file_creator/builtin_templates/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
| raachem/file_creator/builtin_templates/def2-tzvpd.1.gbs |
sha256=WiHVqhqNmsVBSBptFNOwF4BhJGs1Zd3Hlg4r7WNuL78
|
126313 |
| raachem/file_creator/par_templates/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
| raachem/file_creator/scripts/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
| raachem/file_creator/scripts/cleanup.py |
sha256=RtE_w6YkZ0eoxSRv57dpoT3uTEGGCfUYPrYkbc0PnpY
|
1833 |
| raachem/file_creator/scripts/n_jobs_sub.py |
sha256=OvxHJ7V1AttJeRp4xZc50BnxLk9-aTJrw-VeHHT4X4g
|
1541 |
| raachem/file_creator/scripts/run_jobs.py |
sha256=y4vpzL0ntyec-_hEcCReJqwKy37vm6UHb09r3TCPIdg
|
1003 |
| raachem/util/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
| raachem/util/constants.py |
sha256=UjBksbZ1to1D_jgZoWq2tw3op7q67UeSKreqV2i0qEc
|
6706 |
| raachem/util/gen_purp.py |
sha256=MNQcuqRe3EKAZuPItdXZJ68A9txSgpC08LiAn9uK8NI
|
12391 |
| raachem/util/interface.py |
sha256=VzxuwLdaeukJt7JeMGX44tvExSi4GwjnxE9jwaq1Q9E
|
8831 |
| raachem-0.0.8.post2.dist-info/LICENSE.txt |
sha256=4hILftxPZFqNwvsnZxJgNF6aqCPXQOvTtslYWGHgPVo
|
1096 |
| raachem-0.0.8.post2.dist-info/METADATA |
sha256=roSe0CTWjsDNNlaJhf7kbEk64z5xQhysuhZaA-MWRJw
|
538 |
| raachem-0.0.8.post2.dist-info/WHEEL |
sha256=D1Wh14kWDxPnrM-5t_6UCB-UuQNrEODtRa3vF4OsvQY
|
97 |
| raachem-0.0.8.post2.dist-info/top_level.txt |
sha256=FY6S99NPKb5rej7Q3TuxRCRZ5a72MNxWyz2vLgAHqQQ
|
8 |
| raachem-0.0.8.post2.dist-info/RECORD |
— |
— |