From 8fef242194c01cd0362165343e17e7bef591601b Mon Sep 17 00:00:00 2001 From: Marcin Kirsz <marcin.kirsz@ed.ac.uk> Date: Tue, 4 Feb 2025 10:03:09 +0000 Subject: [PATCH] Update pot.tadah --- docs/source/quickstart/pot.tadah | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/docs/source/quickstart/pot.tadah b/docs/source/quickstart/pot.tadah index 8aa5243..049f7fc 100644 --- a/docs/source/quickstart/pot.tadah +++ b/docs/source/quickstart/pot.tadah @@ -1,3 +1,4 @@ +ATOMS Ta BIAS true DIMER false 0 false EWEIGHT 1 @@ -15,7 +16,8 @@ OUTPREC 10 RCTYPE2B Cut_Dummy RCUT2B 5.3 SWEIGHT 1 -TYPE2B D2_LJ +TYPE2B D2_LJ Ta Ta VERBOSE 0 +WATOMS 73 WEIGHTS -11.31560878 -2.822924848 -31.4886432 -- GitLab