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This commit is contained in:
Axel Kohlmeyer
2022-02-14 18:06:24 -05:00
parent c65dbd338b
commit b0c0251154
2 changed files with 0 additions and 172 deletions
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136
tools/eam_database/test/errors.dat
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@ -1,136 +0,0 @@
Relative energy and pressure error for pair Cu Cu de = 0; dp = 0
Relative energy and pressure error for pair Cu Ag de = 0; dp = 0
Relative energy and pressure error for pair Cu Au de = 0; dp = 0
Relative energy and pressure error for pair Cu Ni de = 0; dp = 0
Relative energy and pressure error for pair Cu Pd de = 0; dp = 0
Relative energy and pressure error for pair Cu Pt de = 0; dp = 0
Relative energy and pressure error for pair Cu Al de = 0; dp = 0
Relative energy and pressure error for pair Cu Pb de = 0; dp = 0
Relative energy and pressure error for pair Cu Fe de = 0; dp = 0
Relative energy and pressure error for pair Cu Mo de = 0; dp = 0
Relative energy and pressure error for pair Cu Ta de = 0; dp = 0
Relative energy and pressure error for pair Cu W de = 0; dp = 0
Relative energy and pressure error for pair Cu Mg de = 0; dp = 0
Relative energy and pressure error for pair Cu Co de = 0; dp = 0
Relative energy and pressure error for pair Cu Ti de = 0; dp = 0
Relative energy and pressure error for pair Cu Zr de = 0; dp = 0
Relative energy and pressure error for pair Ag Ag de = 0; dp = 0
Relative energy and pressure error for pair Ag Au de = 0; dp = 0
Relative energy and pressure error for pair Ag Ni de = 0; dp = 0
Relative energy and pressure error for pair Ag Pd de = 0; dp = 0
Relative energy and pressure error for pair Ag Pt de = 0; dp = 0
Relative energy and pressure error for pair Ag Al de = 0; dp = 0
Relative energy and pressure error for pair Ag Pb de = 0; dp = 0
Relative energy and pressure error for pair Ag Fe de = 0; dp = 0
Relative energy and pressure error for pair Ag Mo de = 0; dp = 0
Relative energy and pressure error for pair Ag Ta de = 0; dp = 0
Relative energy and pressure error for pair Ag W de = 0; dp = 0
Relative energy and pressure error for pair Ag Mg de = 0; dp = 0
Relative energy and pressure error for pair Ag Co de = 0; dp = 0
Relative energy and pressure error for pair Ag Ti de = 0; dp = 0
Relative energy and pressure error for pair Ag Zr de = 0; dp = 0
Relative energy and pressure error for pair Au Au de = 0; dp = 0
Relative energy and pressure error for pair Au Ni de = 0; dp = 0
Relative energy and pressure error for pair Au Pd de = 0; dp = 0
Relative energy and pressure error for pair Au Pt de = 0; dp = 0
Relative energy and pressure error for pair Au Al de = 0; dp = 0
Relative energy and pressure error for pair Au Pb de = 0; dp = 0
Relative energy and pressure error for pair Au Fe de = 0; dp = 0
Relative energy and pressure error for pair Au Mo de = 0; dp = 0
Relative energy and pressure error for pair Au Ta de = 0; dp = 0
Relative energy and pressure error for pair Au W de = 0; dp = 0
Relative energy and pressure error for pair Au Mg de = 0; dp = 0
Relative energy and pressure error for pair Au Co de = 0; dp = 0
Relative energy and pressure error for pair Au Ti de = 0; dp = 0
Relative energy and pressure error for pair Au Zr de = 0; dp = 0
Relative energy and pressure error for pair Ni Ni de = 0; dp = 0
Relative energy and pressure error for pair Ni Pd de = 0; dp = 0
Relative energy and pressure error for pair Ni Pt de = 0; dp = 0
Relative energy and pressure error for pair Ni Al de = 0; dp = 0
Relative energy and pressure error for pair Ni Pb de = 0; dp = 0
Relative energy and pressure error for pair Ni Fe de = 0; dp = 0
Relative energy and pressure error for pair Ni Mo de = 0; dp = 0
Relative energy and pressure error for pair Ni Ta de = 0; dp = 0
Relative energy and pressure error for pair Ni W de = 0; dp = 0
Relative energy and pressure error for pair Ni Mg de = 0; dp = 0
Relative energy and pressure error for pair Ni Co de = 0; dp = 0
Relative energy and pressure error for pair Ni Ti de = 0; dp = 0
Relative energy and pressure error for pair Ni Zr de = 0; dp = 0
Relative energy and pressure error for pair Pd Pd de = 0; dp = 0
Relative energy and pressure error for pair Pd Pt de = 0; dp = 0
Relative energy and pressure error for pair Pd Al de = 0; dp = 0
Relative energy and pressure error for pair Pd Pb de = 0; dp = 0
Relative energy and pressure error for pair Pd Fe de = 0; dp = 0
Relative energy and pressure error for pair Pd Mo de = 0; dp = 0
Relative energy and pressure error for pair Pd Ta de = 0; dp = 0
Relative energy and pressure error for pair Pd W de = 0; dp = 0
Relative energy and pressure error for pair Pd Mg de = 0; dp = 0
Relative energy and pressure error for pair Pd Co de = 0; dp = 0
Relative energy and pressure error for pair Pd Ti de = 0; dp = 0
Relative energy and pressure error for pair Pd Zr de = 0; dp = 0
Relative energy and pressure error for pair Pt Pt de = 0; dp = 0
Relative energy and pressure error for pair Pt Al de = 0; dp = 0
Relative energy and pressure error for pair Pt Pb de = 0; dp = 0
Relative energy and pressure error for pair Pt Fe de = 0; dp = 0
Relative energy and pressure error for pair Pt Mo de = 0; dp = 0
Relative energy and pressure error for pair Pt Ta de = 0; dp = 0
Relative energy and pressure error for pair Pt W de = 0; dp = 0
Relative energy and pressure error for pair Pt Mg de = 0; dp = 0
Relative energy and pressure error for pair Pt Co de = 0; dp = 0
Relative energy and pressure error for pair Pt Ti de = 0; dp = 0
Relative energy and pressure error for pair Pt Zr de = 0; dp = 0
Relative energy and pressure error for pair Al Al de = 0; dp = 0
Relative energy and pressure error for pair Al Pb de = 0; dp = 0
Relative energy and pressure error for pair Al Fe de = 0; dp = 0
Relative energy and pressure error for pair Al Mo de = 0; dp = 0
Relative energy and pressure error for pair Al Ta de = 0; dp = 0
Relative energy and pressure error for pair Al W de = 0; dp = 0
Relative energy and pressure error for pair Al Mg de = 0; dp = 0
Relative energy and pressure error for pair Al Co de = 0; dp = 0
Relative energy and pressure error for pair Al Ti de = 0; dp = 0
Relative energy and pressure error for pair Al Zr de = 0; dp = 0
Relative energy and pressure error for pair Pb Pb de = 0; dp = 0
Relative energy and pressure error for pair Pb Fe de = 0; dp = 0
Relative energy and pressure error for pair Pb Mo de = 0; dp = 0
Relative energy and pressure error for pair Pb Ta de = 0; dp = 0
Relative energy and pressure error for pair Pb W de = 0; dp = 0
Relative energy and pressure error for pair Pb Mg de = 0; dp = 0
Relative energy and pressure error for pair Pb Co de = 0; dp = 0
Relative energy and pressure error for pair Pb Ti de = 0; dp = 0
Relative energy and pressure error for pair Pb Zr de = 0; dp = 0
Relative energy and pressure error for pair Fe Fe de = 0; dp = 0
Relative energy and pressure error for pair Fe Mo de = 0; dp = 0
Relative energy and pressure error for pair Fe Ta de = 0; dp = 0
Relative energy and pressure error for pair Fe W de = 0; dp = 0
Relative energy and pressure error for pair Fe Mg de = 0; dp = 0
Relative energy and pressure error for pair Fe Co de = 0; dp = 0
Relative energy and pressure error for pair Fe Ti de = 0; dp = 0
Relative energy and pressure error for pair Fe Zr de = 0; dp = 0
Relative energy and pressure error for pair Mo Mo de = 0; dp = 0
Relative energy and pressure error for pair Mo Ta de = 0; dp = 0
Relative energy and pressure error for pair Mo W de = 0; dp = 0
Relative energy and pressure error for pair Mo Mg de = 0; dp = 0
Relative energy and pressure error for pair Mo Co de = 0; dp = 0
Relative energy and pressure error for pair Mo Ti de = 0; dp = 0
Relative energy and pressure error for pair Mo Zr de = 0; dp = 0
Relative energy and pressure error for pair Ta Ta de = 0; dp = 0
Relative energy and pressure error for pair Ta W de = 0; dp = 0
Relative energy and pressure error for pair Ta Mg de = 0; dp = 0
Relative energy and pressure error for pair Ta Co de = 0; dp = 0
Relative energy and pressure error for pair Ta Ti de = 0; dp = 0
Relative energy and pressure error for pair Ta Zr de = 0; dp = 0
Relative energy and pressure error for pair W W de = 0; dp = 0
Relative energy and pressure error for pair W Mg de = 0; dp = 0
Relative energy and pressure error for pair W Co de = 0; dp = 0
Relative energy and pressure error for pair W Ti de = 0; dp = 0
Relative energy and pressure error for pair W Zr de = 0; dp = 0
Relative energy and pressure error for pair Mg Mg de = 0; dp = 0
Relative energy and pressure error for pair Mg Co de = 0; dp = 0
Relative energy and pressure error for pair Mg Ti de = 0; dp = 0
Relative energy and pressure error for pair Mg Zr de = 0; dp = 0
Relative energy and pressure error for pair Co Co de = 0; dp = 0
Relative energy and pressure error for pair Co Ti de = 0; dp = 0
Relative energy and pressure error for pair Co Zr de = 0; dp = 0
Relative energy and pressure error for pair Ti Ti de = 0; dp = 0
Relative energy and pressure error for pair Ti Zr de = 0; dp = 0
Relative energy and pressure error for pair Zr Zr de = 0; dp = 0

36
tools/eam_database/test/log.lattice
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@ -1,36 +0,0 @@
LAMMPS (7 Jan 2022)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
using 1 OpenMP thread(s) per MPI task
units metal
boundary p p p
atom_style atomic
lattice bcc 5.4
Lattice spacing in x,y,z = 5.4 5.4 5.4
region Myreg block 0 1 0 1 0 1 units lattice
create_box 2 Myreg
Created orthogonal box = (0 0 0) to (5.4 5.4 5.4)
1 by 1 by 1 MPI processor grid
create_atoms 1 box
Created 2 atoms
using lattice units in orthogonal box = (0 0 0) to (5.4 5.4 5.4)
create_atoms CPU = 0.000 seconds
set atom 2 type 2
Setting atom values ...
1 settings made for type
mass * 1.
replicate 5 5 5
Replicating atoms ...
orthogonal box = (0 0 0) to (27 27 27)
1 by 1 by 1 MPI processor grid
250 atoms
replicate CPU = 0.000 seconds
write_data data.lmp
System init for write_data ...
WARNING: Communication cutoff is 0.0. No ghost atoms will be generated. Atoms may get lost. (src/comm_brick.cpp:209)
Total wall time: 0:00:00