{"action":"created","comment":{"url":"https://api.github.com/repos/ComputationalRadiationPhysics/picongpu/pulls/comments/27017417","id":27017417,"diff_hunk":"@@ -36,9 +36,23 @@ namespace SI\n \n     /* ionization energy for ground state hydrogen: 13.6 eV --> converted to Joule */\n     /* Joule = kg * m^2 / s^2 */\n-    const double IONIZATION_ENERGY = 2.179e-18; \n-    /* ionization field strength (E-field) for -\"\"-: in Volt / meter */\n-    const double IONIZATION_EFIELD = 5.14e11;\n+    PMACC_CONST_VECTOR(float_X,1,IONIZATION_ENERGY,\n+        2.179e-18\n+    );\n+    /* ionization field strength (E-field) for -\"\"-: in Volt / meter \n+     * \n+     * usage: \n+     * PMACC_CONST_VECTOR(float_X,<NUMBER_OF_PROTONS>,IONIZATION_EFIELD,\n+     *     <value_1>,\n+     *     ...\n+     *     <value_Z>\n+     * );\n+     * \n+     * Do not forget to change the weight of the ion and the atomic numbers in \n+     * their respective `.param` file */\n+    PMACC_CONST_VECTOR(float_X,1,IONIZATION_EFIELD,","path":"src/picongpu/include/particles/ionization/ionizationEnergies.param","position":21,"original_position":21,"commit_id":"9458132156ad61a7ebdd9bc01ae9a3b28f58845d","original_commit_id":"9458132156ad61a7ebdd9bc01ae9a3b28f58845d","user":{"login":"n01r","id":5416860,"avatar_url":"https://avatars.githubusercontent.com/u/5416860?v=3","gravatar_id":"","url":"https://api.github.com/users/n01r","html_url":"https://github.com/n01r","followers_url":"https://api.github.com/users/n01r/followers","following_url":"https://api.github.com/users/n01r/following{/other_user}","gists_url":"https://api.github.com/users/n01r/gists{/gist_id}","starred_url":"https://api.github.com/users/n01r/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/n01r/subscriptions","organizations_url":"https://api.github.com/users/n01r/orgs","repos_url":"https://api.github.com/users/n01r/repos","events_url":"https://api.github.com/users/n01r/events{/privacy}","received_events_url":"https://api.github.com/users/n01r/received_events","type":"User","site_admin":false},"body":"Yep ... it would be possible but very inelegant to just add another differently named array of ionization energies and use them. Therefore let's think about it together in #771 .","created_at":"2015-03-24T10:52:56Z","updated_at":"2015-03-24T10:52:56Z","html_url":"https://github.com/ComputationalRadiationPhysics/picongpu/pull/768#discussion_r27017417","pull_request_url":"https://api.github.com/repos/ComputationalRadiationPhysics/picongpu/pulls/768","_links":{"self":{"href":"https://api.github.com/repos/ComputationalRadiationPhysics/picongpu/pulls/comments/27017417"},"html":{"href":"https://github.com/ComputationalRadiationPhysics/picongpu/pull/768#discussion_r27017417"},"pull_request":{"href":"https://api.github.com/repos/ComputationalRadiationPhysics/picongpu/pulls/768"}}},"pull_request":{"url":"https://api.github.com/repos/ComputationalRadiationPhysics/picongpu/pulls/768","id":31727981,"html_url":"https://github.com/ComputationalRadiationPhysics/picongpu/pull/768","diff_url":"https://github.com/ComputationalRadiationPhysics/picongpu/pull/768.diff","patch_url":"https://github.com/ComputationalRadiationPhysics/picongpu/pull/768.patch","issue_url":"https://api.github.com/repos/ComputationalRadiationPhysics/picongpu/issues/768","number":768,"state":"open","locked":false,"title":"Start simulation with neutral atoms","user":{"login":"n01r","id":5416860,"avatar_url":"https://avatars.githubusercontent.com/u/5416860?v=3","gravatar_id":"","url":"https://api.github.com/users/n01r","html_url":"https://github.com/n01r","followers_url":"https://api.github.com/users/n01r/followers","following_url":"https://api.github.com/users/n01r/following{/other_user}","gists_url":"https://api.github.com/users/n01r/gists{/gist_id}","starred_url":"https://api.github.com/users/n01r/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/n01r/subscriptions","organizations_url":"https://api.github.com/users/n01r/orgs","repos_url":"https://api.github.com/users/n01r/repos","events_url":"https://api.github.com/users/n01r/events{/privacy}","received_events_url":"https://api.github.com/users/n01r/received_events","type":"User","site_admin":false},"body":"It will be possible from now on to start the simulation neutrally with un-ionized atoms. \r\nTherefore the number of electrons bound to the core is set to the number of protons of the ion species via the `manipulator` concept during initialization. \r\n\r\nFurthermore ionization energies and the fields necessary to overcome them are now stored in `PMACC_CONST_VECTOR()` arrays and can be accessed by the ionization algorithm according to the current charge state. \r\n\r\nThis allows now for any chemical element to be implemented. With it also comes *for free* that the effective charge of the initialized atoms is equal to zero because it is calculated from the `numberOfProtons` and the number of `boundElectrons`.\r\n\r\nIf you happen to implement different elements as species, remember to change the weight of the atom / ion accordingly. A more generic approach should follow in due time.\r\n\r\n![2015_03_23_bsi_electrons](https://cloud.githubusercontent.com/assets/5416860/6779994/8a0f3d42-d161-11e4-8244-df52ceecfc0f.gif)\r\n\r\nIn the picture above a simulation result of Hydrogen atoms being ionized can be seen (electron density is depicted). I guess that these funny \"filament-structures\" are being caused by the step-like nature of the BSI algorithm.\r\n","created_at":"2015-03-23T12:38:33Z","updated_at":"2015-03-24T10:52:56Z","closed_at":null,"merged_at":null,"merge_commit_sha":"f856b8a27cc25f2c862b5905d10c445a6df29103","assignee":{"login":"ax3l","id":1353258,"avatar_url":"https://avatars.githubusercontent.com/u/1353258?v=3","gravatar_id":"","url":"https://api.github.com/users/ax3l","html_url":"https://github.com/ax3l","followers_url":"https://api.github.com/users/ax3l/followers","following_url":"https://api.github.com/users/ax3l/following{/other_user}","gists_url":"https://api.github.com/users/ax3l/gists{/gist_id}","starred_url":"https://api.github.com/users/ax3l/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/ax3l/subscriptions","organizations_url":"https://api.github.com/users/ax3l/orgs","repos_url":"https://api.github.com/users/ax3l/repos","events_url":"https://api.github.com/users/ax3l/events{/privacy}","received_events_url":"https://api.github.com/users/ax3l/received_events","type":"User","site_admin":false},"milestone":{"url":"https://api.github.com/repos/ComputationalRadiationPhysics/picongpu/milestones/2","html_url":"https://github.com/ComputationalRadiationPhysics/picongpu/milestones/Open%20Beta","labels_url":"https://api.github.com/repos/ComputationalRadiationPhysics/picongpu/milestones/2/labels","id":395839,"number":2,"title":"Open Beta","description":"Tasks to complete until the release of our open beta (version 0.1)\r\n\r\nThe [beta](https://en.wikipedia.org/wiki/Software_release_life_cycle#Beta) release shall be useful for *physicist* that used a Particle-in-Cell code *before*. 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