From f72013c5dbe5999fe2c71293ba27e009ed1c8523 Mon Sep 17 00:00:00 2001 From: Evangelos Voyiatzis Date: Sun, 14 Mar 2021 12:36:46 +0100 Subject: [PATCH] Update displace.mod The pressure tensor was not computed as time-averaged quantity but as instantaneous value --- examples/ELASTIC_T/displace.mod | 22 ++++++---------------- 1 file changed, 6 insertions(+), 16 deletions(-) diff --git a/examples/ELASTIC_T/displace.mod b/examples/ELASTIC_T/displace.mod index b121f2f694..4f300b6326 100644 --- a/examples/ELASTIC_T/displace.mod +++ b/examples/ELASTIC_T/displace.mod @@ -100,22 +100,12 @@ run ${nrun} # Obtain new stress tensor -variable tmp equal pe -variable e1 equal ${tmp} -variable tmp equal press -variable p1 equal ${tmp} -variable tmp equal pxx -variable pxx1 equal ${tmp} -variable tmp equal pyy -variable pyy1 equal ${tmp} -variable tmp equal pzz -variable pzz1 equal ${tmp} -variable tmp equal pxy -variable pxy1 equal ${tmp} -variable tmp equal pxz -variable pxz1 equal ${tmp} -variable tmp equal pyz -variable pyz1 equal ${tmp} +variable pxx1 equal f_avp[1] +variable pyy1 equal f_avp[2] +variable pzz1 equal f_avp[3] +variable pxy1 equal f_avp[4] +variable pxz1 equal f_avp[5] +variable pyz1 equal f_avp[6] # Compute elastic constant from pressure tensor