Initial Work on Reading Crystal and Creation Gaussian Input

2022-12-26 06:49:14 -03:00
parent 787d17eccd
commit 3716017cb0
30 changed files with 3262 additions and 852 deletions
--- a/17
+++ b/17
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+[[source]]
+url = "https://pypi.org/simple"
+verify_ssl = true
+name = "pypi"
+
+[packages]
+setproctitle = "*"
+pyyaml = "*"
+nptyping = "*"
+numpy = "*"
+
+[dev-packages]
+coverage = "*"
+
+[requires]
+python_version = "3.8"
+python_full_version = "3.8.16"