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dir_vasp2xyz
dir_vasp2xyz
 
 
monitor_program
monitor_program
 
 
vtstscripts-902
vtstscripts-902
 
 
.JobSqlite.sh.swp
.JobSqlite.sh.swp
 
 
.gitignore
.gitignore
 
 
.test.sh.swp
.test.sh.swp
 
 
1.xyz
1.xyz
 
 
38restart.sh
38restart.sh
 
 
3x3toxyz.sh
3x3toxyz.sh
 
 
48restart.sh
48restart.sh
 
 
CleanUp.sh
CleanUp.sh
 
 
Continue.sh
Continue.sh
 
 
ErrorDetect.sh
ErrorDetect.sh
 
 
ExtractPositionFromOUTCAR.py
ExtractPositionFromOUTCAR.py
 
 
FetchEigenVector.sh
FetchEigenVector.sh
 
 
FtoT.sh
FtoT.sh
 
 
GetDir.sh
GetDir.sh
 
 
GetJobID.sh
GetJobID.sh
 
 
Gibbs.py
Gibbs.py
 
 
Gibbs.pyc
Gibbs.pyc
 
 
GibbsFreeEnergy.py
GibbsFreeEnergy.py
 
 
GibbsFreeEnergy.pyc
GibbsFreeEnergy.pyc
 
 
GoTo.sh
GoTo.sh
 
 
IBRION2.sh
IBRION2.sh
 
 
INCARModifier
INCARModifier
 
 
INCARModifier.cpp
INCARModifier.cpp
 
 
IsRunning.sh
IsRunning.sh
 
 
JobID.sh
JobID.sh
 
 
JobSqlite.sh
JobSqlite.sh
 
 
LSOLmake.sh
LSOLmake.sh
 
 
LSOLprep.sh
LSOLprep.sh
 
 
ListOper.sh
ListOper.sh
 
 
MAX
MAX
 
 
MAX_ATOM_COUNT
MAX_ATOM_COUNT
 
 
ModifyX.py
ModifyX.py
 
 
ModifyX.sh
ModifyX.sh
 
 
ModifyXYZ.py
ModifyXYZ.py
 
 
ModifyXYZ.sh
ModifyXYZ.sh
 
 
ModifyY.py
ModifyY.py
 
 
ModifyY.sh
ModifyY.sh
 
 
ModifyZ.py
ModifyZ.py
 
 
ModifyZ.sh
ModifyZ.sh
 
 
NELM_reach_solve.sh
NELM_reach_solve.sh
 
 
Oper.sh
Oper.sh
 
 
PrepareVASPFiles.sh
PrepareVASPFiles.sh
 
 
RunType.sh
RunType.sh
 
 
SmallMolCalcZPVE.py
SmallMolCalcZPVE.py
 
 
TtoF.sh
TtoF.sh
 
 
UserAnalysis.sh
UserAnalysis.sh
 
 
Write_Sqlite.sh
Write_Sqlite.sh
 
 
addMix.sh
addMix.sh
 
 
addSol.sh
addSol.sh
 
 
adhoc.sh
adhoc.sh
 
 
adhoc2.sh
adhoc2.sh
 
 
adhoc3.sh
adhoc3.sh
 
 
adhoc4.sh
adhoc4.sh
 
 
adjustTF
adjustTF
 
 
adjustTF.c
adjustTF.c
 
 
adjustfree.sh
adjustfree.sh
 
 
adjxy.out
adjxy.out
 
 
adjxysize.f90
adjxysize.f90
 
 
adjxysize.sh
adjxysize.sh
 
 
alignvasp2xyz1.sh
alignvasp2xyz1.sh
 
 
allps
allps
 
 
anlAll.sh
anlAll.sh
 
 
anlList.sh
anlList.sh
 
 
anlList_.sh
anlList_.sh
 
 
anlList~.sh
anlList~.sh
 
 
backup_running_jobs.sh
backup_running_jobs.sh
 
 
bader
bader
 
 
baderAna.sh
baderAna.sh
 
 
centural_sym.py
centural_sym.py
 
 
checkList.sh
checkList.sh
 
 
check_mag_in_outcar.py
check_mag_in_outcar.py
 
 
checkfoldersize.sh
checkfoldersize.sh
 
 
clean.sh
clean.sh
 
 
clean_eo.sh
clean_eo.sh
 
 
clean_vasp.sh
clean_vasp.sh
 
 
clearFolder.sh
clearFolder.sh
 
 
contcar2poscar
contcar2poscar
 
 
contcar2poscar.cpp
contcar2poscar.cpp
 
 
continue_neb.sh
continue_neb.sh
 
 
continuenostart.sh
continuenostart.sh
 
 
continuerelax.sh
continuerelax.sh
 
 
cpVASP.sh
cpVASP.sh
 
 
custom_vasp2xyz.sh
custom_vasp2xyz.sh
 
 
dat2xyz
dat2xyz
 
 
dat2xyz.c
dat2xyz.c
 
 
dimeragain.sh
dimeragain.sh
 
 
dimercont2xyz.sh
dimercont2xyz.sh
 
 
dimerincar.sh
dimerincar.sh
 
 
dimershow.sh
dimershow.sh
 
 
dumpclean.sh
dumpclean.sh
 
 
duplicate_lines.sh
duplicate_lines.sh
 
 
editTag.sh
editTag.sh
 
 
errors
errors
 
 
extract.sh
extract.sh
 
 
extractRes.sh
extractRes.sh
 
 
filesorter
filesorter
 
 
filesorter.cpp
filesorter.cpp
 
 

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  • Perl 77.5%
  • Python 11.2%
  • Shell 4.8%
  • C++ 3.2%
  • C 1.7%
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