theo_of_GBrough_inHEAs.zip
theo_of_GBrough_inHEAs
0K_min_energy_structures
READmE.txt
144 Bytes
S5
Cu25Ni25Fe25Co25.eam.alloy
1.2 MB
Tschopp2015_Article_SymmetricAndAsymmetricTiltGrai(1).pdf
1.7 MB
fcc_S5
1089.data
17.0 kB
1089.dump
8.3 kB
1119.data
17.0 kB
1119.dump
8.4 kB
1407.data
16.9 kB
1407.dump
8.4 kB
1408.data
16.9 kB
1408.dump
8.0 kB
fcc_S5.txt
1.2 kB
gamma_surf.inp
3.7 kB
ini_conf
.fuse_hidden000005bd00000001
370.2 kB
ase
S17.data
56.6 kB
S25.data
166.2 kB
S5.data
16.8 kB
S65.data
431.8 kB
STGB_100.py
2.4 kB
atomsk
bicry.lmp
185.3 kB
boundary.sh
282 Bytes
grain_1.xsf
77.9 kB
grain_2.xsf
77.9 kB
grain_2bis.xsf
77.9 kB
log.lammps
254.3 kB
min_stru
min_stru.data
17.0 kB
trasl.txt
51 Bytes
perfect_cr_en
ase
Cu25Ni25Fe25Co25.eam.alloy
1.2 MB
config
S17_perf.data
56.6 kB
S25_perf.data
166.2 kB
S5_perf.data
16.8 kB
S65_perf.data
431.8 kB
STGB_100_perf.py
2.4 kB
dir_config
log.lammps
4.1 kB
relaxing.inp
922 Bytes
atomsk
Cu25Ni25Fe25Co25.eam.alloy
1.2 MB
dir_config
log.lammps
4.1 kB
perfect.lmp
185.2 kB
perfect_cryst.sh
125 Bytes
relaxing.inp
912 Bytes
average_atom_potential
READ_ME.txt
900 Bytes
average_atom.py
8.8 kB
average_eam_potential.py
2.6 kB
drop_average_atom_and_produce_another_table.sh
246 Bytes
drop_average_atom_tables.py
2.7 kB
launch_me.sh
820 Bytes
dichromatic_pattern
DSC_GB.py
8.8 kB
READmE.txt
71 Bytes
k3match-master
CMakeLists.txt
947 Bytes
INSTALL
670 Bytes
LICENSE.txt
16.7 kB
MANIFEST.in
85 Bytes
README
169 Bytes
build
CMakeCache.txt
12.0 kB
CMakeFiles
3.5.1
CMakeCCompiler.cmake
2.0 kB
CMakeCXXCompiler.cmake
4.6 kB
CMakeDetermineCompilerABI_C.bin
8.6 kB
CMakeDetermineCompilerABI_CXX.bin
8.7 kB
CMakeSystem.cmake
402 Bytes
CompilerIdC
CMakeCCompilerId.c
16.4 kB
a.out
8.8 kB
CompilerIdCXX
CMakeCXXCompilerId.cpp
16.4 kB
a.out
8.8 kB
CMakeDirectoryInformation.cmake
743 Bytes
CMakeOutput.log
43.8 kB
CMakeTmp
Makefile.cmake
6.4 kB
Makefile2
4.0 kB
TargetDirectories.txt
1.6 kB
cmake.check_cache
85 Bytes
feature_tests.bin
12.7 kB
feature_tests.c
688 Bytes
feature_tests.cxx
10.0 kB
progress.marks
2 Bytes
Makefile
6.1 kB
cmake_install.cmake
2.0 kB
install_manifest.txt
232 Bytes
k3match
CMakeFiles
CMakeDirectoryInformation.cmake
743 Bytes
k3match.dir
3dtree.c.o
4.6 kB
C.includecache
858 Bytes
DependInfo.cmake
1.7 kB
brute.c.o
1.7 kB
build.make
13.2 kB
cmake_clean.cmake
383 Bytes
depend.internal
1.1 kB
depend.make
1.6 kB
flags.make
385 Bytes
link.txt
215 Bytes
median.c.o
1.8 kB
point.c.o
1.4 kB
progress.make
106 Bytes
progress.marks
2 Bytes
Makefile
10.8 kB
cmake_install.cmake
2.7 kB
libk3match.so
17 Bytes
libk3match.so.1.1
12.8 kB
lib.linux-x86_64-2.7
k3match.so
103.6 kB
temp.linux-x86_64-2.7
k3match
3dtree.o
18.4 kB
brute.o
5.0 kB
median.o
6.0 kB
point.o
3.9 kB
python
k3match.o
114.4 kB
k3match
3dtree.c
6.1 kB
3dtree.h
1.3 kB
CMakeLists.txt
682 Bytes
brute.c
1.0 kB
brute.h
808 Bytes
median.c
2.3 kB
median.h
810 Bytes
point.c
875 Bytes
point.h
907 Bytes
k3match.h
919 Bytes
python
k3match.c
25.8 kB
setup.py
825 Bytes
test
CMakeLists.txt
189 Bytes
test_insert.c
3.8 kB
test_k3match.c
3.0 kB
test_k3match.py
680 Bytes
test_median.c
2.0 kB
myLattice.cpython-37.pyc
6.0 kB
myLattice.py
6.5 kB
myLattice.pyc
7.3 kB
myUtils.py
3.5 kB
myUtils.pyc
4.0 kB
disconnection_energies
1_bicrystal
GB_trasl.data
120.0 MB
STGB_100.py
1.3 kB
2_relaxing
Cu25Ni25Fe25Co25.eam.alloy
1.2 MB
GB_relaxed_0.dump
50.1 MB
GB_relaxed_1.data
231.2 MB
GB_relaxed_1.dump
51.4 MB
GB_trasl.data
120.0 MB
dir_config
log.lammps
6.7 kB
relaxing.inp
1.3 kB
3_displ_field
GB_relaxed_1.data
231.2 MB
GB_relaxed_displ.data
148.4 MB
dipole.exe
47.8 kB
dislo_dip.f90
15.2 kB
input.inp
423 Bytes
readings.mod
624 Bytes
4_relaxing_step
Cu25Ni25Fe25Co25.eam.alloy
1.2 MB
GB_0.dump
51.8 MB
GB_2.dump
64.8 MB
GB_3.dump
64.8 MB
GB_4.dump
64.8 MB
GB_5.data
231.2 MB
GB_5.dump
64.8 MB
GB_relaxed_displ.data
148.4 MB
dir_config
log.lammps
12.2 kB
relaxing_2.inp
2.5 kB
5_dipole_en
Cu25Ni25Fe25Co25.eam.alloy
1.2 MB
GB_5.data
231.2 MB
GB_5.dump
64.8 MB
GB_relaxed.dump
64.8 MB
GB_relaxed_1.data
231.2 MB
data.out
313 Bytes
dir_config
log.lammps
8.1 kB
relaxing.inp
2.1 kB
structures_1
GB_101.data
19.9 MB
GB_111.data
24.1 MB
GB_121.data
28.7 MB
GB_131.data
33.6 MB
GB_141.data
39.0 MB
GB_151.data
44.7 MB
GB_161.data
51.0 MB
GB_171.data
57.7 MB
GB_181.data
64.8 MB
structures_2
GB_101.data
19.9 MB
GB_111.data
24.1 MB
GB_121.data
28.7 MB
GB_131.data
33.6 MB
GB_141.data
39.0 MB
GB_151.data
44.7 MB
GB_161.data
51.0 MB
GB_171.data
57.7 MB
GB_181.data
64.8 MB
launch_me.sh
4.7 kB
read_me.txt
996 Bytes
read_me.txt
710 Bytes
sigma_DeltaE
READmE.txt
897 Bytes
mapping
GB_relaxed_1.data
1.6 MB
GB_relaxed_2.data
1.6 MB
check_1.out
20.9 kB
check_2.out
20.9 kB
configurazioni_input
1_bicrystal
GB_trasl.data
871.7 kB
STGB_100.py
1.4 kB
2_relaxing_1
GB_relaxed_1.data
1.6 MB
GB_relaxed_1.dump
355.4 kB
GB_trasl.data
871.7 kB
Nsub.txt
4 Bytes
dir_config
log.lammps
8.8 kB
potentials
Cu0Ni33Fe33Co33.eam.alloy
1.2 MB
Cu100Ni0Fe0Co0.eam.alloy
1.2 MB
Cu10Ni30Fe30Co30.eam.alloy
1.2 MB
Cu15Ni28Fe28Co28.eam.alloy
1.2 MB
Cu20Ni26Fe26Co26.eam.alloy
1.2 MB
Cu25Ni25Fe25Co25.eam.alloy
1.2 MB
Cu30Ni23Fe23Co23.eam.alloy
1.2 MB
Cu35Ni21Fe21Co21.eam.alloy
1.2 MB
Cu40Ni20Fe20Co20.eam.alloy
1.2 MB
Cu45Ni18Fe18Co18.eam.alloy
1.2 MB
Cu50Ni16Fe16Co16.eam.alloy
1.2 MB
Cu55Ni15Fe15Co15.eam.alloy
1.2 MB
Cu5Ni31Fe31Co31.eam.alloy
1.2 MB
Cu60Ni13Fe13Co13.eam.alloy
1.2 MB
Cu65Ni11Fe11Co11.eam.alloy
1.2 MB
Cu70Ni10Fe10Co10.eam.alloy
1.2 MB
Cu75Ni8Fe8Co8.eam.alloy
1.2 MB
Cu80Ni6Fe6Co6.eam.alloy
1.2 MB
Cu85Ni5Fe5Co5.eam.alloy
1.2 MB
Cu90Ni3Fe3Co3.eam.alloy
1.2 MB
Cu95Ni1Fe1Co1.eam.alloy
1.2 MB
relaxing.inp
1.7 kB
3_relaxing_2
GB_relaxed_1.data
1.6 MB
GB_relaxed_2.data
1.6 MB
GB_relaxed_2.dump
356.0 kB
dir_config
log.lammps
4.9 kB
potentials
Cu0Ni33Fe33Co33.eam.alloy
1.2 MB
Cu100Ni0Fe0Co0.eam.alloy
1.2 MB
Cu10Ni30Fe30Co30.eam.alloy
1.2 MB
Cu15Ni28Fe28Co28.eam.alloy
1.2 MB
Cu20Ni26Fe26Co26.eam.alloy
1.2 MB
Cu25Ni25Fe25Co25.eam.alloy
1.2 MB
Cu30Ni23Fe23Co23.eam.alloy
1.2 MB
Cu35Ni21Fe21Co21.eam.alloy
1.2 MB
Cu40Ni20Fe20Co20.eam.alloy
1.2 MB
Cu45Ni18Fe18Co18.eam.alloy
1.2 MB
Cu50Ni16Fe16Co16.eam.alloy
1.2 MB
Cu55Ni15Fe15Co15.eam.alloy
1.2 MB
Cu5Ni31Fe31Co31.eam.alloy
1.2 MB
Cu60Ni13Fe13Co13.eam.alloy
1.2 MB
Cu65Ni11Fe11Co11.eam.alloy
1.2 MB
Cu70Ni10Fe10Co10.eam.alloy
1.2 MB
Cu75Ni8Fe8Co8.eam.alloy
1.2 MB
Cu80Ni6Fe6Co6.eam.alloy
1.2 MB
Cu85Ni5Fe5Co5.eam.alloy
1.2 MB
Cu90Ni3Fe3Co3.eam.alloy
1.2 MB
Cu95Ni1Fe1Co1.eam.alloy
1.2 MB
relaxing.inp
1.3 kB
exchanges.out
10.1 kB
input.inp
313 Bytes
map.exe
35.1 kB
mapping.f90
6.2 kB
readings.mod
619 Bytes
models_of_S5_gb_for_different_compositions
GB_relaxed_1.data
1.6 MB
def.exe
35.5 kB
input.inp
247 Bytes
lattice.out
353 Bytes
launch_me.sh
950 Bytes
models_1
model_0.lmp
1.1 MB
model_10.lmp
1.1 MB
model_100.lmp
1.1 MB
model_15.lmp
1.1 MB
model_20.lmp
1.1 MB
model_25.lmp
1.1 MB
model_30.lmp
1.1 MB
model_35.lmp
1.1 MB
model_40.lmp
1.1 MB
model_45.lmp
1.1 MB
model_5.lmp
1.1 MB
model_50.lmp
1.1 MB
model_55.lmp
1.1 MB
model_60.lmp
1.1 MB
model_65.lmp
1.1 MB
model_70.lmp
1.1 MB
model_75.lmp
1.1 MB
model_80.lmp
1.1 MB
model_85.lmp
1.1 MB
model_90.lmp
1.1 MB
model_95.lmp
1.1 MB
perc.out
62 Bytes
readings.mod
619 Bytes
uni_def.f90
11.4 kB
sigma
calc_sigma.f90
4.1 kB
concentrations
conc_0.txt
11.1 kB
conc_10.txt
3.2 kB
conc_100.txt
1.6 kB
conc_15.txt
11.7 kB
conc_20.txt
11.5 kB
conc_25.txt
4.0 kB
conc_30.txt
11.5 kB
conc_35.txt
11.7 kB
conc_40.txt
3.2 kB
conc_45.txt
11.7 kB
conc_5.txt
11.7 kB
conc_50.txt
11.5 kB
conc_55.txt
4.0 kB
conc_60.txt
11.5 kB
conc_65.txt
11.7 kB
conc_70.txt
3.2 kB
conc_75.txt
12.3 kB
conc_80.txt
12.1 kB
conc_85.txt
4.0 kB
conc_90.txt
12.1 kB
conc_95.txt
12.3 kB
data.out
1.5 kB
exchanges.out
10.1 kB
input.inp
565 Bytes
int_en.xyz
92.7 kB
launch_me.sh
692 Bytes
outputs_1
output_0.txt
58.2 kB
output_10.txt
58.3 kB
output_100.txt
58.3 kB
output_15.txt
58.3 kB
output_20.txt
58.3 kB
output_25.txt
58.3 kB
output_30.txt
58.3 kB
output_35.txt
58.3 kB
output_40.txt
58.3 kB
output_45.txt
58.3 kB
output_5.txt
58.2 kB
output_50.txt
58.2 kB
output_55.txt
58.2 kB
output_60.txt
58.3 kB
output_65.txt
58.2 kB
output_70.txt
58.2 kB
output_75.txt
58.3 kB
output_80.txt
58.2 kB
output_85.txt
58.2 kB
output_90.txt
58.2 kB
output_95.txt
58.3 kB
param.exe
21.8 kB
substitutional_energies_S5_for_different_compositions
concentrations
conc_0.txt
11.1 kB
conc_10.txt
3.2 kB
conc_100.txt
1.6 kB
conc_15.txt
11.7 kB
conc_20.txt
11.5 kB
conc_25.txt
4.0 kB
conc_30.txt
11.5 kB
conc_35.txt
11.7 kB
conc_40.txt
3.2 kB
conc_45.txt
11.7 kB
conc_5.txt
11.7 kB
conc_50.txt
11.5 kB
conc_55.txt
4.0 kB
conc_60.txt
11.5 kB
conc_65.txt
11.7 kB
conc_70.txt
3.2 kB
conc_75.txt
12.3 kB
conc_80.txt
12.1 kB
conc_85.txt
4.0 kB
conc_90.txt
12.1 kB
conc_95.txt
12.3 kB
models_1
model_0.lmp
1.1 MB
model_10.lmp
1.1 MB
model_100.lmp
1.1 MB
model_15.lmp
1.1 MB
model_20.lmp
1.1 MB
model_25.lmp
1.1 MB
model_30.lmp
1.1 MB
model_35.lmp
1.1 MB
model_40.lmp
1.1 MB
model_45.lmp
1.1 MB
model_5.lmp
1.1 MB
model_50.lmp
1.1 MB
model_55.lmp
1.1 MB
model_60.lmp
1.1 MB
model_65.lmp
1.1 MB
model_70.lmp
1.1 MB
model_75.lmp
1.1 MB
model_80.lmp
1.1 MB
model_85.lmp
1.1 MB
model_90.lmp
1.1 MB
model_95.lmp
1.1 MB
outputs_1
output_0.txt
58.2 kB
output_10.txt
58.3 kB
output_100.txt
58.3 kB
output_15.txt
58.3 kB
output_20.txt
58.3 kB
output_25.txt
58.3 kB
output_30.txt
58.3 kB
output_35.txt
58.3 kB
output_40.txt
58.3 kB
output_45.txt
58.3 kB
output_5.txt
58.2 kB
output_50.txt
58.2 kB
output_55.txt
58.2 kB
output_60.txt
58.3 kB
output_65.txt
58.2 kB
output_70.txt
58.2 kB
output_75.txt
58.3 kB
output_80.txt
58.2 kB
output_85.txt
58.2 kB
output_90.txt
58.2 kB
output_95.txt
58.3 kB
potentials
Cu0Ni33Fe33Co33.eam.alloy
1.2 MB
Cu100Ni0Fe0Co0.eam.alloy
1.2 MB
Cu10Ni30Fe30Co30.eam.alloy
1.2 MB
Cu15Ni28Fe28Co28.eam.alloy
1.2 MB
Cu20Ni26Fe26Co26.eam.alloy
1.2 MB
Cu25Ni25Fe25Co25.eam.alloy
1.2 MB
Cu30Ni23Fe23Co23.eam.alloy
1.2 MB
Cu35Ni21Fe21Co21.eam.alloy
1.2 MB
Cu40Ni20Fe20Co20.eam.alloy
1.2 MB
Cu45Ni18Fe18Co18.eam.alloy
1.2 MB
Cu50Ni16Fe16Co16.eam.alloy
1.2 MB
Cu55Ni15Fe15Co15.eam.alloy
1.2 MB
Cu5Ni31Fe31Co31.eam.alloy
1.2 MB
Cu60Ni13Fe13Co13.eam.alloy
1.2 MB
Cu65Ni11Fe11Co11.eam.alloy
1.2 MB
Cu70Ni10Fe10Co10.eam.alloy
1.2 MB
Cu75Ni8Fe8Co8.eam.alloy
1.2 MB
Cu80Ni6Fe6Co6.eam.alloy
1.2 MB
Cu85Ni5Fe5Co5.eam.alloy
1.2 MB
Cu90Ni3Fe3Co3.eam.alloy
1.2 MB
Cu95Ni1Fe1Co1.eam.alloy
1.2 MB
sub_en_2.inp
3.5 kB
simulating_boundaries_in_HEAs
Cu25Ni25Fe25Co25.eam.alloy
1.2 MB
CuNiFeCo.eam.alloy
871.8 kB
READ_ME.txt
546 Bytes
STGB_100.py
1.2 kB
STGB_100.py.save
1.2 kB
energy.comp
411 Bytes
energy_avg.comp
95 Bytes
ini_conf
GB.data
4.0 MB
ini_conf_1
GB_rel.data
7.6 MB
GB_rel.dump
2.6 MB
launch.sh
2.3 kB
minimize.var
151 Bytes
minimizing.min
397 Bytes
potential.var
117 Bytes
potential_avg.var
121 Bytes
random.var
94 Bytes
relaxing.inp
1.2 kB
relaxing_0.inp
757 Bytes
seeds.txt
4.1 kB
stresses.comp
442 Bytes
translations.var
123 Bytes