Skip to content

Commit

Permalink
fix: change variable name and remove comments
Browse files Browse the repository at this point in the history
  • Loading branch information
caefleury committed May 13, 2024
1 parent 33a4d3f commit 69eb5c7
Show file tree
Hide file tree
Showing 2 changed files with 1 addition and 15 deletions.
14 changes: 0 additions & 14 deletions src/scripts/strains.py
Original file line number Diff line number Diff line change
Expand Up @@ -41,17 +41,3 @@ def run():
structure_charge_file, reaxff_file, pristine)

print(f"Criando Simulação: {folder}")

# CRIAR LISTA COM O NOME DE TODAS AS ESTRUTURAS
# FOR LOOP DA ESTRUTURA
# CRIAR FOLDER PARA A ESTRUTURA = STRUCTURE_FILE
# CRIAR FOLDER DO STRAIN X DENTRO DO STRUCTURE_FILE
# CRIA FOLDER DO STRAIN Y DENTRO DO STRUCTURE_FILE
# FOR LOOP DO STRAIN X
# CRIA PASTA
# CRIA STRAIN X CORRESPONDENTE
# POPULA PASTA COM OS OUTROS 3 ARQUIVOS
# FOR LOOP DO STRAIN Y
# CRIA PASTA
# CRIA STRAIN X CORRESPONDENTE
# POPULA PASTA COM OS OUTROS 3 ARQUIVOS
2 changes: 1 addition & 1 deletion src/utils/my_utils.py
Original file line number Diff line number Diff line change
Expand Up @@ -80,7 +80,7 @@ def write_strain_y_folders(folder, y_strain_data, structure_charge_file, reaxff_
def write_melting_file(file, melting_data_file):
melting_data = return_file_data(melting_data_file)
random_int = random.randint(100000000, 999999999)
velocity = "velocity all create ${temperatura} %d rot yes\n" % (
velocity = "velocity all create ${temperatura_inicial} %d rot yes\n" % (
random_int)
with open(file, 'w') as f:
for i, line in enumerate(melting_data):
Expand Down

0 comments on commit 69eb5c7

Please sign in to comment.