Commit Graph

6 Commits

Author SHA1 Message Date
Rafael Ravedutti
e48b3fb653 Add option to check if cj is local before applying reaction force
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-04-04 21:52:40 +02:00
Rafael Ravedutti
5df544637f Fix force calculation time in LAMMPS variant
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-03-17 02:53:58 +01:00
Rafael Ravedutti
cecb31d6a9 Update params for argon_1000 test case
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-03-07 14:49:38 +01:00
Rafael Ravedutti
ba6785a865 Allow parameter reading from files and update data
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-03-05 03:21:52 +01:00
Rafael Ravedutti
d0ec9520f2 Write function to read PDB files and include data for Argon simulation
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2022-02-24 02:36:17 +01:00
Rafael Ravedutti
bb21a885a1 Add new setups for Copper melting with LJ and EAM
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
2021-11-30 01:33:55 +01:00