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Update SOMD1 dummy atom handling kwarg. [ci skip]
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Lines changed: 5 additions & 5 deletions

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examples/README.md

Lines changed: 5 additions & 5 deletions
Original file line numberDiff line numberDiff line change
@@ -231,7 +231,7 @@ protocol_1 = BSS.Protocol.FreeEnergyProduction(
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process = BSS.Process.Somd(
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system=ejm42_ejm54,
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protocol=protocol_0,
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no_dummy_modifications=True,
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dummy_modifications=False,
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work_dir="somd1/no_mod/lambda_0",
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)
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process.start()
@@ -241,7 +241,7 @@ process.wait()
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process = BSS.Process.Somd(
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system=ejm42_ejm54,
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protocol=protocol_1,
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no_dummy_modifications=True,
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dummy_modifications=False,
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work_dir="somd1/no_mod/lambda_1",
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)
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process.start()
@@ -253,7 +253,7 @@ process.wait()
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process = BSS.Process.Somd(
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system=ejm42_ejm54_ghostly,
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protocol=protocol_0,
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no_dummy_modifications=True,
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dummy_modifications=False,
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work_dir="somd1/mod/lambda_0",
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)
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process.start()
@@ -263,15 +263,15 @@ process.wait()
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process = BSS.Process.Somd(
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system=ejm42_ejm54_ghostly,
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protocol=protocol_1,
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no_dummy_modifications=True,
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dummy_modifications=False,
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work_dir="somd1/mod/lambda_1",
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)
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process.start()
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process.wait()
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```
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> [!NOTE]
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> The `no_dummy_modifications=True` flag is required to disable the automatic
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> The `dummy_modifications=False` flag is required to disable the automatic
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> ghost atom handling in `SOMD1`, i.e. we want to use the terms from the
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> stream file without additional modification.
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