OpenScientificCodeRegistry/Database

1{2 "format": "oscr-script-manifest/1",3 "repository": "github.com/graeter-group/kimmdy",4 "url": "https://github.com/graeter-group/kimmdy",5 "host": "github.com",6 "commit": "0734a98b39d94594e62ddc528ab40cdcd2f50ba5",7 "license": "GPL-3.0",8 "license_confirmed_by": "license file LICENSE",9 "redistribution": "yes",10 "files": [11  {12   "path": "LICENSE",13   "sha256": "3972dc9744f6499f0f9b2dbf76696f2ae7ad8af9b23dde66d6af86c9dfb36986",14   "language": "License",15   "lines": 674,16   "truncated": false,17   "block": 1,18   "row": 223519  },20  {21   "path": "README.md",22   "sha256": "ba7dbf798f64020bba460130a4b17f13902ddf9ccbc5d4f560d62a62be9e1c8c",23   "language": "Text",24   "lines": 83,25   "truncated": false,26   "block": 9,27   "row": 1455028  },29  {30   "path": "_extensions/jmbuhr/molstar/assets/molstar.js",31   "sha256": "10597790ff3cdc45601b58bd14ed25cf961a458e7821cadc97145f4baadc73e8",32   "language": "JavaScript",33   "lines": 2,34   "truncated": true,35   "block": 9,36   "row": 212937  },38  {39   "path": "_freeze/site_libs/clipboard/clipboard.min.js",40   "sha256": "e17a1d816e13c0826e0ed7febfabc3277f45571234bde0bf9120829a7169edc9",41   "language": "JavaScript",42   "lines": 7,43   "truncated": false,44   "block": 3,45   "row": 692046  },47  {48   "path": "_freeze/site_libs/quarto-listing/list.min.js",49   "sha256": "0448c6e77b46cc9b9b138eb6b97ddee3896efddecb25dc703d1db9de99bba4f9",50   "language": "JavaScript",51   "lines": 2,52   "truncated": false,53   "block": 9,54   "row": 210055  },56  {57   "path": "_freeze/site_libs/quarto-listing/quarto-listing.js",58   "sha256": "d5157f75fbd472478ac33625526dc4a5eb487ac2e8f14a30e6bb15d274b92242",59   "language": "JavaScript",60   "lines": 243,61   "truncated": false,62   "block": 9,63   "row": 207864  },65  {66   "path": "_reference/analysis.qmd",67   "sha256": "43ca4b041aae08cf4a4aa191755f04c29b6c89c334e370bb4cc60686d72e4a96",68   "language": "Quarto",69   "lines": 198,70   "truncated": false,71   "block": 9,72   "row": 1273973  },74  {75   "path": "_reference/cmd.qmd",76   "sha256": "cce2304e09f0953adc115436cd3325ecb6574fb147e887e518df87dc74d933a5",77   "language": "Quarto",78   "lines": 73,79   "truncated": false,80   "block": 9,81   "row": 1272282  },83  {84   "path": "_reference/config.qmd",85   "sha256": "5cc4f73ac7da7ea14f9bcda2e85154b064adf33c0d6d924812fb8af239b5fd6f",86   "language": "Quarto",87   "lines": 83,88   "truncated": false,89   "block": 9,90   "row": 1271891  },92  {93   "path": "_reference/constants.qmd",94   "sha256": "2724aea7ce3211966c396a6dbe77f1c8d8fc1fb1f313ac91b039ee630a991f86",95   "language": "Quarto",96   "lines": 15,97   "truncated": false,98   "block": 9,99   "row": 12708100  },101  {102   "path": "_reference/coordinates.qmd",103   "sha256": "134a4cd4bdff4f935d5c66ee662aedc6964400a4fc35fa08eee7a42fa30049bf",104   "language": "Quarto",105   "lines": 158,106   "truncated": false,107   "block": 9,108   "row": 12728109  },110  {111   "path": "_reference/dummyreaction.reaction.DummyReaction.qmd",112   "sha256": "a58eeb204520e909de6d1de7942f94bbd96450e5f821a3e21999d655f4fdadec",113   "language": "Quarto",114   "lines": 7,115   "truncated": false,116   "block": 9,117   "row": 12704118  },119  {120   "path": "_reference/hat_naive.reaction.NaiveHAT.qmd",121   "sha256": "1bc01f66f21323d15b17315598197e3cb2fbbeab36c72d0d38b4dc658c52593c",122   "language": "Quarto",123   "lines": 7,124   "truncated": false,125   "block": 9,126   "row": 12705127  },128  {129   "path": "_reference/homolysis.reaction.Homolysis.qmd",130   "sha256": "3adc77e15d9ac9aaeb4b0ef2253c05bb27aa0a741105210cbd11a0fa35daa7e0",131   "language": "Quarto",132   "lines": 8,133   "truncated": false,134   "block": 9,135   "row": 12706136  },137  {138   "path": "_reference/index.qmd",139   "sha256": "1cdaf8f6adec6ccc74ae25e246904b907252fed1e586baed98a0049da8320d78",140   "language": "Quarto",141   "lines": 60,142   "truncated": false,143   "block": 9,144   "row": 12717145  },146  {147   "path": "_reference/kmc.qmd",148   "sha256": "a33e2922380d618ec0a937e4cb71a567d8331f655bc46b5a3a64b782ec612838",149   "language": "Quarto",150   "lines": 169,151   "truncated": false,152   "block": 9,153   "row": 12736154  },155  {156   "path": "_reference/parsing.TopologyDict.qmd",157   "sha256": "1cc4bfa88c3125bf3686f35bb6033c32b7dce7520ec4bdb9e382ab833027dae0",158   "language": "Quarto",159   "lines": 5,160   "truncated": false,161   "block": 9,162   "row": 12703163  },164  {165   "path": "_reference/parsing.qmd",166   "sha256": "f2d079feec1f58c64ca01e63a35a8e53917fe39755ee165359a47bb4baeb08aa",167   "language": "Quarto",168   "lines": 317,169   "truncated": false,170   "block": 9,171   "row": 12738172  },173  {174   "path": "_reference/plugins.qmd",175   "sha256": "c03a829094c66bf746a81f64b7bf83ffe8ca32caa132b56e4d3400fec82a8e7f",176   "language": "Quarto",177   "lines": 98,178   "truncated": false,179   "block": 9,180   "row": 12723181  },182  {183   "path": "_reference/recipe.qmd",184   "sha256": "49574ab153fa374883829f708d474935c4ee45f6a42b41d9ba0a93fdb682654f",185   "language": "Quarto",186   "lines": 337,187   "truncated": false,188   "block": 9,189   "row": 12742190  },191  {192   "path": "_reference/runmanager.qmd",193   "sha256": "49d2d998cb909a7af4d33df3874a1c4f33900499c60c8b4bb4579c9b2151d78b",194   "language": "Quarto",195   "lines": 83,196   "truncated": false,197   "block": 9,198   "row": 12726199  },200  {201   "path": "_reference/schema.qmd",202   "sha256": "87ea94838a93cc701f81bf9d06c261d6477c46940ca23acc41a236e83e66c2f3",203   "language": "Quarto",204   "lines": 117,205   "truncated": false,206   "block": 9,207   "row": 12721208  },209  {210   "path": "_reference/tasks.qmd",211   "sha256": "42b1f7f1f8df044bc90b1fa00e5852a749ea2724c0db650238d7657b028e4a78",212   "language": "Quarto",213   "lines": 103,214   "truncated": false,215   "block": 9,216   "row": 12727217  },218  {219   "path": "_reference/tools.qmd",220   "sha256": "e5b9b784dea7593d0a597d50bc43c73550df704166f288ca1d5a9af7415ccd8f",221   "language": "Quarto",222   "lines": 146,223   "truncated": false,224   "block": 9,225   "row": 12733226  },227  {228   "path": "_reference/topology.atomic.qmd",229   "sha256": "031b964cac8876737651cd7a885a13bb9bd7dc58e75bbe81d12e6108c7cb2cca",230   "language": "Quarto",231   "lines": 453,232   "truncated": false,233   "block": 9,234   "row": 12737235  },236  {237   "path": "_reference/topology.ff.qmd",238   "sha256": "267f92c62c2965057c18f3f6f1b841e1f91496e86ecc4555dc808c87dff380e0",239   "language": "Quarto",240   "lines": 21,241   "truncated": false,242   "block": 9,243   "row": 12707244  },245  {246   "path": "_reference/topology.topology.qmd",247   "sha256": "aae180597e6a8cf7b013233977db6f4a96382fbac913d0e5f5007a82d3ed7229",248   "language": "Quarto",249   "lines": 249,250   "truncated": false,251   "block": 9,252   "row": 12740253  },254  {255   "path": "_reference/topology.utils.qmd",256   "sha256": "cfeeb0dd6f6fc9a617bb2cbd67d9ebcdff275433169a4994a5056f8eb59ac6c0",257   "language": "Quarto",258   "lines": 167,259   "truncated": false,260   "block": 9,261   "row": 12734262  },263  {264   "path": "_reference/utils.qmd",265   "sha256": "f7fec0bc8a7b07c773072b7e13f3c81c9ca453f17674c77ccd973c22ebcc21fb",266   "language": "Quarto",267   "lines": 103,268   "truncated": false,269   "block": 9,270   "row": 12724271  },272  {273   "path": "docs/site_libs/bootstrap/bootstrap.min.js",274   "sha256": "d2ea6c1e0cabca20d18e924b25a1cd0187c38ba7c33f60ab06e1b0402b9bcdb5",275   "language": "JavaScript",276   "lines": 7,277   "truncated": false,278   "block": 3,279   "row": 6962280  },281  {282   "path": "docs/site_libs/clipboard/clipboard.min.js",283   "sha256": "e17a1d816e13c0826e0ed7febfabc3277f45571234bde0bf9120829a7169edc9",284   "language": "JavaScript",285   "lines": 7,286   "truncated": false,287   "block": 3,288   "row": 6920289  },290  {291   "path": "docs/site_libs/quarto-contrib/glightbox/glightbox.min.js",292   "sha256": "03dfe1fbce92a9f17fcd1a1501213bd820d050ab085c338419ab06a3631c9459",293   "language": "JavaScript",294   "lines": 1,295   "truncated": false,296   "block": 9,297   "row": 2119298  },299  {300   "path": "docs/site_libs/quarto-contrib/molstar-v3.13.0/molstar.js",301   "sha256": "10597790ff3cdc45601b58bd14ed25cf961a458e7821cadc97145f4baadc73e8",302   "language": "JavaScript",303   "lines": 2,304   "truncated": true,305   "block": 9,306   "row": 2129307  },308  {309   "path": "docs/site_libs/quarto-html/anchor.min.js",310   "sha256": "69098e105d990f834cff1b7886d873444228ff63c590e5ff834d568f1115ed8b",311   "language": "JavaScript",312   "lines": 9,313   "truncated": false,314   "block": 5,315   "row": 14883316  },317  {318   "path": "docs/site_libs/quarto-html/axe/axe-check.js",319   "sha256": "88e2922e397018186991fa708947be84f96f85578e3c7601d29a5e58e367211d",320   "language": "JavaScript",321   "lines": 145,322   "truncated": false,323   "block": 5,324   "row": 14823325  },326  {327   "path": "docs/site_libs/quarto-html/popper.min.js",328   "sha256": "4d50586b184724d39ddfe0f6582861664eddd5e806e5a79e0dbaa832361414d0",329   "language": "JavaScript",330   "lines": 6,331   "truncated": false,332   "block": 5,333   "row": 15263334  },335  {336   "path": "docs/site_libs/quarto-html/quarto.js",337   "sha256": "14589dacd0cf625c4e6891269681a0a8e20aaa5390864ca6a69f2fff1514719a",338   "language": "JavaScript",339   "lines": 847,340   "truncated": false,341   "block": 5,342   "row": 15345343  },344  {345   "path": "docs/site_libs/quarto-html/tabsets/tabsets.js",346   "sha256": "a9c226bf70e82eaf5476f619cecfb70b4446b87ce4d1634d6404b0b2ba006d15",347   "language": "JavaScript",348   "lines": 95,349   "truncated": false,350   "block": 5,351   "row": 14652352  },353  {354   "path": "docs/site_libs/quarto-html/tippy.umd.min.js",355   "sha256": "41181eeec6d7ba64cb9165f0e95563e34e026bde79e7c13aeec83270429b6fae",356   "language": "JavaScript",357   "lines": 2,358   "truncated": false,359   "block": 5,360   "row": 15318361  },362  {363   "path": "docs/site_libs/quarto-listing/list.min.js",364   "sha256": "0448c6e77b46cc9b9b138eb6b97ddee3896efddecb25dc703d1db9de99bba4f9",365   "language": "JavaScript",366   "lines": 2,367   "truncated": false,368   "block": 9,369   "row": 2100370  },371  {372   "path": "docs/site_libs/quarto-listing/quarto-listing.js",373   "sha256": "d5157f75fbd472478ac33625526dc4a5eb487ac2e8f14a30e6bb15d274b92242",374   "language": "JavaScript",375   "lines": 243,376   "truncated": false,377   "block": 9,378   "row": 2078379  },380  {381   "path": "docs/site_libs/quarto-nav/headroom.min.js",382   "sha256": "5b80cc4165a661a3f2060d6bdb5ccff591f04c4f8e39a06c12d3c2544587cb17",383   "language": "JavaScript",384   "lines": 7,385   "truncated": false,386   "block": 9,387   "row": 2064388  },389  {390   "path": "docs/site_libs/quarto-nav/quarto-nav.js",391   "sha256": "a3e9c8c52dd54d783a6d9294357ef104d17d03faf0a404b592216c0d71a9f717",392   "language": "JavaScript",393   "lines": 325,394   "truncated": false,395   "block": 9,396   "row": 2088397  },398  {399   "path": "docs/site_libs/quarto-search/autocomplete.umd.js",400   "sha256": "cd9db3b7d812139a4679a2566ea8f01b2a80159490a60b9e9e813e81b5e00a05",401   "language": "JavaScript",402   "lines": 3,403   "truncated": false,404   "block": 9,405   "row": 2126406  },407  {408   "path": "docs/site_libs/quarto-search/fuse.min.js",409   "sha256": "c57339c3fa16b1d69d9a6b46749a8139ef8d4fc9bbfe48144ff897aa7d4222ec",410   "language": "JavaScript",411   "lines": 9,412   "truncated": false,413   "block": 9,414   "row": 2108415  },416  {417   "path": "docs/site_libs/quarto-search/quarto-search.js",418   "sha256": "b685d6ad9b22c04e3f55bcf54e56db7fed463bc881bc92007406e9879a0ec6be",419   "language": "JavaScript",420   "lines": 1290,421   "truncated": false,422   "block": 9,423   "row": 2117424  },425  {426   "path": "guide/explanation/components.qmd",427   "sha256": "ac35ac26d20723e1cc7fb07edea10b364d0839a3dd60c29303bd32b0a1e7f488",428   "language": "Quarto",429   "lines": 29,430   "truncated": false,431   "block": 9,432   "row": 12744433  },434  {435   "path": "guide/explanation/index.qmd",436   "sha256": "a3701fbf7aad5db6afba36b948097157235c2cc738011102633d10ea05b5c85e",437   "language": "Quarto",438   "lines": 7,439   "truncated": false,440   "block": 9,441   "row": 12701442  },443  {444   "path": "guide/explanation/topology.qmd",445   "sha256": "f0f32692bb425a2fde1cc4a23293f6e91520840ee03d06d92e3f139318453ac6",446   "language": "Quarto",447   "lines": 158,448   "truncated": false,449   "block": 9,450   "row": 12720451  },452  {453   "path": "guide/how-to/analyze.qmd",454   "sha256": "193ed17ecd9772a6061705606e2eb7fbfa4c2909b797692460bbb765540ff146",455   "language": "Quarto",456   "lines": 85,457   "truncated": false,458   "block": 9,459   "row": 12719460  },461  {462   "path": "guide/how-to/contribute.qmd",463   "sha256": "6fcecfa3c1916f89b3f51e689fea9d99d6c8ec5cf65f026190b8ee6f80ebfc64",464   "language": "Quarto",465   "lines": 121,466   "truncated": false,467   "block": 9,468   "row": 12725469  },470  {471   "path": "guide/how-to/examples.qmd",472   "sha256": "7cbdf31c29d1b8d96d53c54cef492aeb0c9e350b5f1cd19a414414fe14fb1e1f",473   "language": "Quarto",474   "lines": 38,475   "truncated": false,476   "block": 9,477   "row": 12711478  },479  {480   "path": "guide/how-to/faq.qmd",481   "sha256": "d63714f7e130cf41b67f310cb064cd64f3d46fb107d453d451c98bfd7890da5e",482   "language": "Quarto",483   "lines": 41,484   "truncated": false,485   "block": 9,486   "row": 12713487  },488  {489   "path": "guide/how-to/hcp.qmd",490   "sha256": "e1b251f6240b3d80233638cfc8d57653e312b6ad9836cb0f13972b3481c04df7",491   "language": "Quarto",492   "lines": 42,493   "truncated": false,494   "block": 9,495   "row": 12710496  },497  {498   "path": "guide/how-to/index.qmd",499   "sha256": "5d17939f171ef03ccf3ddbb231b80b9034ade69de1143a59f872287d59e6486b",500   "language": "Quarto",501   "lines": 8,502   "truncated": false,503   "block": 9,504   "row": 12700505  },506  {507   "path": "guide/how-to/install-kimmdy.qmd",508   "sha256": "ad7cae3558dd533884cf90923726048dba7a8c576ecdd703d1be60070b4f0cb9",509   "language": "Quarto",510   "lines": 91,511   "truncated": false,512   "block": 9,513   "row": 12715514  },515  {516   "path": "guide/how-to/reaction_only.qmd",517   "sha256": "3248e2a6b27f9e101a9fb523bb50cecfa93c1126e4f76ce876b818879a7ecf7f",518   "language": "Quarto",519   "lines": 38,520   "truncated": false,521   "block": 9,522   "row": 12712523  },524  {525   "path": "guide/references/cmd_ref.qmd",526   "sha256": "9c4410c39e409501c44cd01c2ed8e195909d4f94be9588e827ca2544e594b844",527   "language": "Quarto",528   "lines": 47,529   "truncated": false,530   "block": 9,531   "row": 12709532  },533  {534   "path": "guide/references/input.qmd",535   "sha256": "969512ccd6795eb975ca8658c97707cdb17dae208b40f9b37aae8844f6961cfb",536   "language": "Quarto",537   "lines": 98,538   "truncated": false,539   "block": 9,540   "row": 12716541  },542  {543   "path": "guide/tutorials/analyse-extended-simulations/analyse_kimmdy_migration.py",544   "sha256": "2ce41e8eabbe353bf74ff5c7b11b0eca53add860ac54e444d199a6627cc491d0",545   "language": "Python",546   "lines": 105,547   "truncated": false,548   "block": 9,549   "row": 8495550  },551  {552   "path": "guide/tutorials/colbuilder-files/change_crosslink_atom_names.py",553   "sha256": "91c20c0052a89c9fd7f4618fc43fccec7f8bb12553d009937252a77524e3717e",554   "language": "Python",555   "lines": 41,556   "truncated": false,557   "block": 9,558   "row": 7548559  },560  {561   "path": "guide/tutorials/colbuilder-files/prepare_enforced_rotation.py",562   "sha256": "cb77e1bd3e363c5e7d322e5b822e1976e20069f47c53722db93192067cc5c5c1",563   "language": "Python",564   "lines": 99,565   "truncated": false,566   "block": 9,567   "row": 8859568  },569  {570   "path": "guide/tutorials/colbuilder.qmd",571   "sha256": "f80e2d1c6cbbb1d306effb8c54f3c4942169faf2726fc584c80b32a940450070",572   "language": "Quarto",573   "lines": 234,574   "truncated": false,575   "block": 9,576   "row": 12735577  },578  {579   "path": "guide/tutorials/getting-started.qmd",580   "sha256": "dfe87d9e4e0946496c8725f3710e8e1dc8840e338d193e2cadd449ab719b4582",581   "language": "Quarto",582   "lines": 206,583   "truncated": false,584   "block": 9,585   "row": 12729586  },587  {588   "path": "guide/tutorials/index.qmd",589   "sha256": "15496fe741325bdd0809040f292a43a0f959c37f3c0849423a0605658e6a8359",590   "language": "Quarto",591   "lines": 10,592   "truncated": false,593   "block": 9,594   "row": 12702595  },596  {597   "path": "guide/tutorials/modify-topology.qmd",598   "sha256": "9f3d7b6b7ea4c1401b74529b4129d6f10ff6ba0f28924baec24819ee43488670",599   "language": "Quarto",600   "lines": 120,601   "truncated": false,602   "block": 9,603   "row": 12732604  },605  {606   "path": "guide/tutorials/write-plugin.qmd",607   "sha256": "35700000814fa4bf4e6c479ebe364d3717f39b0cec2c8c421710e6683719d9ae",608   "language": "Quarto",609   "lines": 181,610   "truncated": false,611   "block": 9,612   "row": 12731613  },614  {615   "path": "index.qmd",616   "sha256": "e0a01fd68f17058c312ce8fa7daa8e37555f05c5266ad4489e4cb124087ffc94",617   "language": "Quarto",618   "lines": 1,619   "truncated": false,620   "block": 9,621   "row": 12699622  },623  {624   "path": "setup.py",625   "sha256": "843ac26c38a41abae578250bc0f9419194b320a0f67327d941037a4268f6cfe7",626   "language": "Python",627   "lines": 3,628   "truncated": false,629   "block": 2,630   "row": 1605631  },632  {633   "path": "src/kimmdy/__init__.py",634   "sha256": "f52d49a1a094b034470235e408f20a1b324124854be06ccd88fdc09ac694b414",635   "language": "Python",636   "lines": 5,637   "truncated": false,638   "block": 9,639   "row": 6217640  },641  {642   "path": "src/kimmdy/analysis.py",643   "sha256": "66bc8ec200aae27bef1b8fe51e3f7c2a562d52469b64ea5f1f87d1d1a4814401",644   "language": "Python",645   "lines": 987,646   "truncated": false,647   "block": 9,648   "row": 12272649  },650  {651   "path": "src/kimmdy/assets/templates.py",652   "sha256": "628a345cd5cf8a3eda0157c95f29f81eb64914c042dd6b4fc829c42708b4d0a4",653   "language": "Python",654   "lines": 50,655   "truncated": false,656   "block": 9,657   "row": 7281658  },659  {660   "path": "src/kimmdy/cmd.py",661   "sha256": "2cd6076b91f9c3feacfd859bcbd299806d56af0c097da0d4a1dffeabec6ed08e",662   "language": "Python",663   "lines": 293,664   "truncated": false,665   "block": 9,666   "row": 10627667  },668  {669   "path": "src/kimmdy/config.py",670   "sha256": "625d8e3b76147502b8297c250ea1bb5941c4af0fa98891828b680c759b6b5bb0",671   "language": "Python",672   "lines": 499,673   "truncated": false,674   "block": 9,675   "row": 11819676  },677  {678   "path": "src/kimmdy/constants.py",679   "sha256": "d74a0cd0f895a9f0b0de1772cd738f9e0a29db7170d9b2fee2546291665468de",680   "language": "Python",681   "lines": 255,682   "truncated": false,683   "block": 9,684   "row": 9290685  },686  {687   "path": "src/kimmdy/coordinates.py",688   "sha256": "04a3cc40cf4017e202bc11c75b875d4379a2f5e3e1f30a00c1a1e3e587dada2a",689   "language": "Python",690   "lines": 1174,691   "truncated": false,692   "block": 9,693   "row": 12464694  },695  {696   "path": "src/kimmdy/kmc.py",697   "sha256": "c78e7c5cbe4f23c584a0245e7cffce96f64d14725f58902b6ed0ff5811e03ed6",698   "language": "Python",699   "lines": 648,700   "truncated": false,701   "block": 9,702   "row": 11936703  },704  {705   "path": "src/kimmdy/parsing.py",706   "sha256": "1842704f30fa52f19ba7c4c446cba8e49c560170fa6f3dc0e4705dc4f13213ea",707   "language": "Python",708   "lines": 697,709   "truncated": false,710   "block": 9,711   "row": 11991712  },713  {714   "path": "src/kimmdy/plugin_utils.py",715   "sha256": "f91f6207e02ecca40d2236fcbf05705052874aeb0f64748f4c7ea1eec6fb2634",716   "language": "Python",717   "lines": 414,718   "truncated": false,719   "block": 9,720   "row": 11275721  },722  {723   "path": "src/kimmdy/plugins.py",724   "sha256": "0e824a0423fb5c1f0750102273fc322aa5ff81644ae25c53ee9eb1ecaa399ef5",725   "language": "Python",726   "lines": 126,727   "truncated": false,728   "block": 9,729   "row": 8964730  },731  {732   "path": "src/kimmdy/recipe.py",733   "sha256": "7b53720fe918fdd91feabf480ca2ce33fccf64477bcd702ef1d89ccba1407735",734   "language": "Python",735   "lines": 954,736   "truncated": false,737   "block": 9,738   "row": 12297739  },740  {741   "path": "src/kimmdy/runmanager.py",742   "sha256": "82b22bf383de836f3cd8613bc4a9f704400fe7e4dd7697291f050b52de138a8b",743   "language": "Python",744   "lines": 1357,745   "truncated": false,746   "block": 9,747   "row": 12524748  },749  {750   "path": "src/kimmdy/schema.py",751   "sha256": "c3f13852e423de86db1df76cc8e20a19e4c2afe1bfaa36f61aa2775ad4535569",752   "language": "Python",753   "lines": 254,754   "truncated": false,755   "block": 9,756   "row": 10222757  },758  {759   "path": "src/kimmdy/tasks.py",760   "sha256": "d8ca50014c377e3909a799c86423fa7653c51ce180dff9aff0b5e2a50707f101",761   "language": "Python",762   "lines": 215,763   "truncated": false,764   "block": 9,765   "row": 10190766  },767  {768   "path": "src/kimmdy/tools.py",769   "sha256": "4741adeb2071aceab6b1d4cdb88fe14c9db2a5daf3700f4fd905dca3e01a7d96",770   "language": "Python",771   "lines": 557,772   "truncated": false,773   "block": 9,774   "row": 11704775  },776  {777   "path": "src/kimmdy/topology/atomic.py",778   "sha256": "8e526bb1319254a4c139f0d66c4f6eb3eebe9f07d32ec651a4c034a2b18358bc",779   "language": "Python",780   "lines": 781,781   "truncated": false,782   "block": 9,783   "row": 11811784  },785  {786   "path": "src/kimmdy/topology/ff.py",787   "sha256": "4bdf25abbc6ec3e9953ef7384aad1ffadcaf7a8edd69b8ce16af6dcc3d951f24",788   "language": "Python",789   "lines": 167,790   "truncated": false,791   "block": 9,792   "row": 10013793  },794  {795   "path": "src/kimmdy/topology/topology.py",796   "sha256": "c069b3ac229503d47e5b540008aad4a3c16fa18bef88920c493672866fb25b33",797   "language": "Python",798   "lines": 1607,799   "truncated": false,800   "block": 9,801   "row": 12563802  },803  {804   "path": "src/kimmdy/topology/utils.py",805   "sha256": "4153215565c0b60c91ac5f27db8bd7d6ef4c76a4fde3f188b6a842b34853d7b0",806   "language": "Python",807   "lines": 378,808   "truncated": false,809   "block": 9,810   "row": 11231811  },812  {813   "path": "src/kimmdy/utils.py",814   "sha256": "598d84654e135bba33effdee3c7e0aaab5a5a224465392bca5c463895cb19939",815   "language": "Python",816   "lines": 285,817   "truncated": false,818   "block": 9,819   "row": 10855820  },821  {822   "path": "tests/conftest.py",823   "sha256": "0ed393b0d2fb1088ae3b01920e38cd768c0396426b4cdad4016e4350fef64b94",824   "language": "Python",825   "lines": 82,826   "truncated": false,827   "block": 9,828   "row": 8241829  },830  {831   "path": "tests/test_cmd.py",832   "sha256": "98472f84deebf03e61a354c7e1ef6912b1b2977f60389fb941acb9d0e1d01e1d",833   "language": "Python",834   "lines": 49,835   "truncated": false,836   "block": 9,837   "row": 7328838  },839  {840   "path": "tests/test_config.py",841   "sha256": "3524da3753e6dea6f99c1bb489c978b66ef3a7992e16c988018d4a61ac719fdc",842   "language": "Python",843   "lines": 213,844   "truncated": false,845   "block": 9,846   "row": 9978847  },848  {849   "path": "tests/test_coordinates.py",850   "sha256": "a3fbdf6fcc674b20b0d785d8e652cd6bb1737c4a0923852eac38c0f1e0dfcc68",851   "language": "Python",852   "lines": 460,853   "truncated": false,854   "block": 9,855   "row": 11423856  },857  {858   "path": "tests/test_files/test_integration/alanine_hat_naive/run.sh",859   "sha256": "d808ae55429e1cc5f5fb41653c9715c3955bfcfd5bcef0a574e966fe5766e24c",860   "language": "Shell",861   "lines": 27,862   "truncated": false,863   "block": 9,864   "row": 14202865  },866  {867   "path": "tests/test_files/test_integration/alanine_hat_naive_pull/eq.sh",868   "sha256": "03c0bfc90819f3f668e17a434311643a2730e51515b50ed078b842eeefef6406",869   "language": "Shell",870   "lines": 31,871   "truncated": false,872   "block": 9,873   "row": 14111874  },875  {876   "path": "tests/test_files/test_integration/alanine_hat_naive_pull/run.sh",877   "sha256": "cd6c68f740320ebe7b27474da857719771c6083578576b6c285f3ea1ed27f520",878   "language": "Shell",879   "lines": 51,880   "truncated": false,881   "block": 9,882   "row": 14271883  },884  {885   "path": "tests/test_integration.py",886   "sha256": "ae62248bcb0845a1deea989664b86ee29aea27869b08c766d377a0242d11d82f",887   "language": "Python",888   "lines": 273,889   "truncated": false,890   "block": 9,891   "row": 10757892  },893  {894   "path": "tests/test_kmc.py",895   "sha256": "9f168cf6531f386917c68c9a290fe7dcbfa8979ba78dadb43269b39332852db4",896   "language": "Python",897   "lines": 202,898   "truncated": false,899   "block": 9,900   "row": 10125901  },902  {903   "path": "tests/test_parsing.py",904   "sha256": "bfef566106d16840c6928aa6fafa50868fe7c7ac28b1d33a112e5f97e50905b4",905   "language": "Python",906   "lines": 279,907   "truncated": false,908   "block": 9,909   "row": 10600910  },911  {912   "path": "tests/test_plugin.py",913   "sha256": "017c16ae15a1b0fe30dad506b053a38d334079bf3e9f7c6bfd2508020cc78439",914   "language": "Python",915   "lines": 23,916   "truncated": false,917   "block": 9,918   "row": 6839919  },920  {921   "path": "tests/test_recipe.py",922   "sha256": "969270ba8e7c240a1726ecb3e6a5cb9ed6e2fec38081a0b8f758948b2e7e68cb",923   "language": "Python",924   "lines": 373,925   "truncated": false,926   "block": 9,927   "row": 11023928  },929  {930   "path": "tests/test_schema.py",931   "sha256": "84176a00cd2bab4a0342e293e27ca586b11e10a0a9e72a181a8e0535856e1ff5",932   "language": "Python",933   "lines": 27,934   "truncated": false,935   "block": 9,936   "row": 6854937  },938  {939   "path": "tests/test_topology.py",940   "sha256": "02efa02036e0756a6ceb652adbf72775808166e27ed91a3af134e1a2e53c56f2",941   "language": "Python",942   "lines": 1080,943   "truncated": false,944   "block": 9,945   "row": 12376946  }947 ]948}