{"action":"created","issue":{"url":"https://api.github.com/repos/henniggroup/VASPsol/issues/27","labels_url":"https://api.github.com/repos/henniggroup/VASPsol/issues/27/labels{/name}","comments_url":"https://api.github.com/repos/henniggroup/VASPsol/issues/27/comments","events_url":"https://api.github.com/repos/henniggroup/VASPsol/issues/27/events","html_url":"https://github.com/henniggroup/VASPsol/issues/27","id":102002612,"number":27,"title":"Some internal variables declared as REAL(q) instead of RGRID","user":{"login":"ehermes","id":1775697,"avatar_url":"https://avatars.githubusercontent.com/u/1775697?v=3","gravatar_id":"","url":"https://api.github.com/users/ehermes","html_url":"https://github.com/ehermes","followers_url":"https://api.github.com/users/ehermes/followers","following_url":"https://api.github.com/users/ehermes/following{/other_user}","gists_url":"https://api.github.com/users/ehermes/gists{/gist_id}","starred_url":"https://api.github.com/users/ehermes/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/ehermes/subscriptions","organizations_url":"https://api.github.com/users/ehermes/orgs","repos_url":"https://api.github.com/users/ehermes/repos","events_url":"https://api.github.com/users/ehermes/events{/privacy}","received_events_url":"https://api.github.com/users/ehermes/received_events","type":"User","site_admin":false},"labels":[],"state":"closed","locked":false,"assignee":null,"milestone":null,"comments":4,"created_at":"2015-08-19T21:24:58Z","updated_at":"2015-12-09T14:53:40Z","closed_at":"2015-12-09T14:53:40Z","body":"Hello,\r\n\r\nI noticed that solvation.F would not compile properly when VASP is compiled in complex mode (e.g. for noncollinear calculations). Here's a diff that shows how I fixed the problem in src/solvation.F:\r\n\r\n```diff\r\ndiff --git a/src/solvation.F b/src/solvation.F\r\nindex 4a2492e..853bafc 100644\r\n--- a/src/solvation.F\r\n+++ b/src/solvation.F\r\n@@ -91,7 +91,7 @@ SUBROUTINE Vcorrection_lpcm(SP_GRIDC, SP_LATT_CUR, SP_P, &\r\n  COMPLEX(q),ALLOCATABLE :: CWORK_K(:)\r\n #endif\r\n  !vacuum level\r\n- REAL(q),ALLOCATABLE :: RHOB(:), RHOION(:)\r\n+ RGRID,ALLOCATABLE :: RHOB(:), RHOION(:)\r\n\r\n  ALLOCATE(SP_d_eps(DIMREAL(SP_GRIDC%MPLWV)) )\r\n  ALLOCATE(SP_kappa2(DIMREAL(SP_GRIDC%MPLWV)))\r\n@@ -1663,7 +1663,8 @@ SUBROUTINE COMPUTE_RHOB(GRIDC, LATT_CUR, T_INFO, EPSILON, PHI, RHOB)\r\n   TYPE(type_info),INTENT(IN) :: T_INFO\r\n\r\n   COMPLEX(q) :: PHI(GRIDC%MPLWV)\r\n-  REAL(q) :: EPSILON(DIMREAL(GRIDC%MPLWV)), RHOB(DIMREAL(GRIDC%MPLWV))\r\n+  REAL(q) :: EPSILON(DIMREAL(GRIDC%MPLWV))\r\n+  RGRID :: RHOB(DIMREAL(GRIDC%MPLWV))\r\n\r\n   COMPLEX(q),ALLOCATABLE :: gradphi_x_in(:)\r\n   COMPLEX(q),ALLOCATABLE :: gradphi_y_in(:)\r\n@@ -1719,9 +1720,9 @@ SUBROUTINE COMPUTE_RHOION(GRIDC, LATT_CUR, T_INFO, KAPPA2, PHI,RHOION)\r\n\r\n   COMPLEX(q) :: PHI(GRIDC%MPLWV)\r\n   REAL(q) :: KAPPA2(DIMREAL(GRIDC%MPLWV))\r\n-  REAL(q) :: RHOION(DIMREAL(GRIDC%MPLWV))\r\n+  RGRID :: RHOION(DIMREAL(GRIDC%MPLWV))\r\n\r\n-  REAL(q),ALLOCATABLE :: R_PHI(:)\r\n+  RGRID,ALLOCATABLE :: R_PHI(:)\r\n\r\n   INTEGER(q) :: I\r\n```\r\n\r\nI have not tested this new code, but at least it compiles now. Note: This is with VASP 5.3.5."},"comment":{"url":"https://api.github.com/repos/henniggroup/VASPsol/issues/comments/163276339","html_url":"https://github.com/henniggroup/VASPsol/issues/27#issuecomment-163276339","issue_url":"https://api.github.com/repos/henniggroup/VASPsol/issues/27","id":163276339,"user":{"login":"matk86","id":8696276,"avatar_url":"https://avatars.githubusercontent.com/u/8696276?v=3","gravatar_id":"","url":"https://api.github.com/users/matk86","html_url":"https://github.com/matk86","followers_url":"https://api.github.com/users/matk86/followers","following_url":"https://api.github.com/users/matk86/following{/other_user}","gists_url":"https://api.github.com/users/matk86/gists{/gist_id}","starred_url":"https://api.github.com/users/matk86/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/matk86/subscriptions","organizations_url":"https://api.github.com/users/matk86/orgs","repos_url":"https://api.github.com/users/matk86/repos","events_url":"https://api.github.com/users/matk86/events{/privacy}","received_events_url":"https://api.github.com/users/matk86/received_events","type":"User","site_admin":false},"created_at":"2015-12-09T14:53:40Z","updated_at":"2015-12-09T14:53:40Z","body":"Sorry for the delay. Currently I'm busy with my thesis and defense. \r\nI will get back to the issue in a week or so.\r\nThanks for the patience"}}