diff --git a/devtools/conda-envs/canary_env.yaml b/devtools/conda-envs/canary_env.yaml
index 97b6e5a..7fb4e58 100644
--- a/devtools/conda-envs/canary_env.yaml
+++ b/devtools/conda-envs/canary_env.yaml
@@ -5,5 +5,5 @@ dependencies:
- python
- pip
- pytest
- - openff-toolkit
+ - openff-toolkit >=0.14.3
- openmmforcefields
diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
index ae1a89a..a5e7d0b 100644
--- a/devtools/conda-envs/test_env.yaml
+++ b/devtools/conda-envs/test_env.yaml
@@ -4,7 +4,7 @@ channels:
dependencies:
- python
- pip
- - openff-toolkit
+ - openff-toolkit >=0.14.3
- pytest
- pytest-cov
- pandas
diff --git a/openforcefields/offxml/opc-1.0.2.offxml b/openforcefields/offxml/opc-1.0.2.offxml
new file mode 100644
index 0000000..5b76264
--- /dev/null
+++ b/openforcefields/offxml/opc-1.0.2.offxml
@@ -0,0 +1,139 @@
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diff --git a/openforcefields/offxml/opc.offxml b/openforcefields/offxml/opc.offxml
index c6f0e9f..5b76264 100644
--- a/openforcefields/offxml/opc.offxml
+++ b/openforcefields/offxml/opc.offxml
@@ -1,6 +1,6 @@
-
+
diff --git a/openforcefields/offxml/opc3-1.0.1.offxml b/openforcefields/offxml/opc3-1.0.1.offxml
new file mode 100644
index 0000000..4b41884
--- /dev/null
+++ b/openforcefields/offxml/opc3-1.0.1.offxml
@@ -0,0 +1,136 @@
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\ No newline at end of file
diff --git a/openforcefields/offxml/opc3.offxml b/openforcefields/offxml/opc3.offxml
index 3021dbc..4b41884 100644
--- a/openforcefields/offxml/opc3.offxml
+++ b/openforcefields/offxml/opc3.offxml
@@ -1,6 +1,6 @@
-
+
diff --git a/openforcefields/offxml/tip3p-1.0.1.offxml b/openforcefields/offxml/tip3p-1.0.1.offxml
new file mode 100644
index 0000000..6791047
--- /dev/null
+++ b/openforcefields/offxml/tip3p-1.0.1.offxml
@@ -0,0 +1,34 @@
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\ No newline at end of file
diff --git a/openforcefields/offxml/tip3p.offxml b/openforcefields/offxml/tip3p.offxml
index 2f9e327..6791047 100644
--- a/openforcefields/offxml/tip3p.offxml
+++ b/openforcefields/offxml/tip3p.offxml
@@ -1,6 +1,6 @@
-
+
diff --git a/openforcefields/offxml/tip3p_fb-1.1.1.offxml b/openforcefields/offxml/tip3p_fb-1.1.1.offxml
new file mode 100644
index 0000000..0785095
--- /dev/null
+++ b/openforcefields/offxml/tip3p_fb-1.1.1.offxml
@@ -0,0 +1,136 @@
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\ No newline at end of file
diff --git a/openforcefields/offxml/tip3p_fb.offxml b/openforcefields/offxml/tip3p_fb.offxml
index cc295db..0785095 100644
--- a/openforcefields/offxml/tip3p_fb.offxml
+++ b/openforcefields/offxml/tip3p_fb.offxml
@@ -1,6 +1,6 @@
-
+
diff --git a/openforcefields/offxml/tip4p_fb-1.0.1.offxml b/openforcefields/offxml/tip4p_fb-1.0.1.offxml
new file mode 100644
index 0000000..41a384c
--- /dev/null
+++ b/openforcefields/offxml/tip4p_fb-1.0.1.offxml
@@ -0,0 +1,139 @@
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\ No newline at end of file
diff --git a/openforcefields/offxml/tip4p_fb.offxml b/openforcefields/offxml/tip4p_fb.offxml
index d2cf727..41a384c 100644
--- a/openforcefields/offxml/tip4p_fb.offxml
+++ b/openforcefields/offxml/tip4p_fb.offxml
@@ -1,6 +1,6 @@
-
+
diff --git a/scripts/write_opc.py b/scripts/write_opc.py
index 1b8af0d..5528e51 100644
--- a/scripts/write_opc.py
+++ b/scripts/write_opc.py
@@ -20,7 +20,7 @@
from openff.units.elements import SYMBOLS
from packaging import version
-VERSION = version.Version("1.0.1")
+VERSION = version.Version("1.0.2")
OFFXML_PATH = Path("openforcefields", "offxml")
ion_nb_params_df = pandas.read_csv(
@@ -31,7 +31,7 @@
opc_electrostatics = ElectrostaticsHandler(version=0.4, scale14=0.8333333333)
opc_library = LibraryChargeHandler(version=0.3)
-opc_vdw = vdWHandler(version=0.3)
+opc_vdw = vdWHandler(version=0.4)
opc_constraints = ConstraintHandler(version=0.3)
opc_virtual_sites = VirtualSiteHandler(version=0.3)
diff --git a/scripts/write_opc3.py b/scripts/write_opc3.py
index 0682203..a9505c1 100644
--- a/scripts/write_opc3.py
+++ b/scripts/write_opc3.py
@@ -20,7 +20,7 @@
from openff.units.elements import SYMBOLS
from packaging import version
-VERSION = version.Version("1.0.0")
+VERSION = version.Version("1.0.1")
OFFXML_PATH = Path("openforcefields", "offxml")
ion_nb_params_df = pandas.read_csv(
@@ -31,7 +31,7 @@
opc3_electrostatics = ElectrostaticsHandler(version=0.4, scale14=0.8333333333)
opc3_library = LibraryChargeHandler(version=0.3)
-opc3_vdw = vdWHandler(version=0.3)
+opc3_vdw = vdWHandler(version=0.4)
opc3_constraints = ConstraintHandler(version=0.3)
opc3_vdw.add_parameter(
diff --git a/scripts/write_tip3p.py b/scripts/write_tip3p.py
index b6efb5c..313fa10 100644
--- a/scripts/write_tip3p.py
+++ b/scripts/write_tip3p.py
@@ -11,7 +11,7 @@
from openff.units import unit
from packaging import version
-VERSION = version.Version("1.0.0")
+VERSION = version.Version("1.0.1")
OFFXML_PATH = "openforcefields/offxml/"
dataframe = pandas.read_csv("openforcefields/data/jc.csv")
@@ -20,7 +20,7 @@
tip3p_electrostatics = ElectrostaticsHandler(version=0.4, scale14=0.8333333333)
tip3p_library = LibraryChargeHandler(version=0.3)
-tip3p_vdw = vdWHandler(version=0.3)
+tip3p_vdw = vdWHandler(version=0.4)
tip3p_constraints = ConstraintHandler(version=0.3)
tip3p_vdw.add_parameter(
diff --git a/scripts/write_tip3p_fb.py b/scripts/write_tip3p_fb.py
index 349500a..54bb33d 100644
--- a/scripts/write_tip3p_fb.py
+++ b/scripts/write_tip3p_fb.py
@@ -17,7 +17,7 @@
from openff.units.elements import SYMBOLS
from packaging import version
-VERSION = version.Version("1.1.0")
+VERSION = version.Version("1.1.1")
OFFXML_PATH = Path("openforcefields", "offxml")
ion_nb_params_df = pandas.read_csv(
@@ -28,7 +28,7 @@
tip3p_fb_electrostatics = ElectrostaticsHandler(version=0.4, scale14=0.8333333333)
tip3p_fb_library = LibraryChargeHandler(version=0.3)
-tip3p_fb_vdw = vdWHandler(version=0.3)
+tip3p_fb_vdw = vdWHandler(version=0.4)
tip3p_fb_constraints = ConstraintHandler(version=0.3)
tip3p_fb_vdw.add_parameter(
diff --git a/scripts/write_tip4p_fb.py b/scripts/write_tip4p_fb.py
index 6f5c64a..534d17e 100644
--- a/scripts/write_tip4p_fb.py
+++ b/scripts/write_tip4p_fb.py
@@ -18,7 +18,7 @@
from openff.units.elements import SYMBOLS
from packaging import version
-VERSION = version.Version("1.0.0")
+VERSION = version.Version("1.0.1")
OFFXML_PATH = Path("openforcefields", "offxml")
ion_nb_params_df = pandas.read_csv(
@@ -29,7 +29,7 @@
tip4p_fb_electrostatics = ElectrostaticsHandler(version=0.4, scale14=0.8333333333)
tip4p_fb_library = LibraryChargeHandler(version=0.3)
-tip4p_fb_vdw = vdWHandler(version=0.3)
+tip4p_fb_vdw = vdWHandler(version=0.4)
tip4p_fb_constraints = ConstraintHandler(version=0.3)
tip4p_fb_virtual_sites = VirtualSiteHandler(version=0.3)