From 4840bbcb575de3659e4b582dfef097aa63af53f8 Mon Sep 17 00:00:00 2001 From: robinzyb <38876805+robinzyb@users.noreply.github.com> Date: Thu, 7 Sep 2023 14:12:19 +0200 Subject: [PATCH] Update README.md for recommendation of using cp2kdata --- README.md | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/README.md b/README.md index 1e86a7196..67942ac8f 100644 --- a/README.md +++ b/README.md @@ -74,8 +74,10 @@ The `System` or `LabeledSystem` can be constructed from the following file forma | gaussian| log | True | True | LabeledSystem | 'gaussian/md' | | siesta | output | False | True | LabeledSystem | 'siesta/output'| | siesta | aimd_output | True | True | LabeledSystem | 'siesta/aimd_output' | -| cp2k | output | False | True | LabeledSystem | 'cp2k/output' | -| cp2k | aimd_output | True | True | LabeledSystem | 'cp2k/aimd_output' | +| cp2k(deprecated in future) | output | False | True | LabeledSystem | 'cp2k/output' | +| cp2k(deprecated in future) | aimd_output | True | True | LabeledSystem | 'cp2k/aimd_output' | +| cp2k([plug-in](https://github.com/robinzyb/cp2kdata#plug-in-for-dpdata)) | stdout | False | True | LabeledSystem | 'cp2kdata/e_f' | +| cp2k([plug-in](https://github.com/robinzyb/cp2kdata#plug-in-for-dpdata)) | stdout | True | True | LabeledSystem | 'cp2kdata/md' | | QE | log | False | True | LabeledSystem | 'qe/pw/scf' | | QE | log | True | False | System | 'qe/cp/traj' | | QE | log | True | True | LabeledSystem | 'qe/cp/traj' |