[RMCProfile-users] swap on RMCProfile

[Nick Funnell - STFC UKRI]

Dear Kazutaka,

I suspect you just need to replace some spaces with an underscore, i.e.:
 
SWAP ::
   > SWAP_ATOMS :: atom1 atom2
   > SWAP_PROBABILITY :: 0.5

Best wishes,
Nick


-----Original Message-----
From: rmcprofile-users <rmcprofile-users-bounces at shadow.nd.rl.ac.uk> On Behalf Of Kazutaka IKEDA via rmcprofile-users
Sent: 14 December 2021 01:34
To: rmcprofile-users at rmcprofile.org
Cc: Kazutaka IKEDA <kikeda at post.j-parc.jp>
Subject: [RMCProfile-users] swap on RMCProfile

Dear Dr. Yuanpeng Zhang,

I want to use swap on RMCProfile V6.7.6 or V6.7.9, so I added the following three lines to the .dat file, but it doesn't work.

SWAP ::
   > SWAP ATOMS :: atom1 atom2
   > SWAP PROBABILITY :: 0.5

The RMCPforile works without the above lines.
Please tell me where I am going wrong.

Best regards,

Kazutaka IKEDA

Institute of Materials Structure Science, High Energy Accelerator Research Organization (KEK)
203-1 Shirakata, Tokai-mura, Naka-gun, Ibaraki, 319-1106 Japan
tel: +81-29-284-4639
e-mail: kikeda at post.j-parc.jp
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