From 54e774e17ffd110377e8aca552817c78a15fb70a Mon Sep 17 00:00:00 2001 From: Chris Sewell Date: Sun, 3 Jun 2018 11:49:13 +0100 Subject: [PATCH] Crystal Output Validation; removed requirements not met by non-spin calculations --- ejplugins/__init__.py | 2 +- ejplugins/schema/crystal_out.json | 7 ++----- 2 files changed, 3 insertions(+), 6 deletions(-) diff --git a/ejplugins/__init__.py b/ejplugins/__init__.py index 577faa9..d08a811 100644 --- a/ejplugins/__init__.py +++ b/ejplugins/__init__.py @@ -33,4 +33,4 @@ def load_all_encoders(): return plugins.load_plugin_classes([Encode_Pymatgen, Encode_ASE]) -__version__ = "0.9.0" +__version__ = "0.9.1" diff --git a/ejplugins/schema/crystal_out.json b/ejplugins/schema/crystal_out.json index 3d79ee1..47df578 100644 --- a/ejplugins/schema/crystal_out.json +++ b/ejplugins/schema/crystal_out.json @@ -495,9 +495,7 @@ "required": [ "atomic_charges_peratom", "charge_normalization_factor", - "energy", - "spin_density_peratom", - "spin_density_total" + "energy" ] } }, @@ -1478,8 +1476,7 @@ } }, "required": [ - "alpha+beta_electrons", - "alpha-beta_electrons" + "alpha+beta_electrons" ] } },