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Searched path:charges (Results 1 – 25 of 93) sorted by relevance

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/dports/science/cdk/cdk-cdk-2.3/tool/charges/src/main/java/org/openscience/cdk/charges/
H A DIChargeCalculator.java
H A DGasteigerMarsiliPartialCharges.java
H A DIElectronicPropertyCalculator.java
H A DAtomTypeCharges.java
H A DGasteigerPEPEPartialCharges.java
H A DElectronegativity.java
H A DInductivePartialCharges.java
H A DPiElectronegativity.java
H A DPolarizability.java
H A DStabilizationCharges.java
/dports/science/cdk/cdk-cdk-2.3/tool/charges/src/test/java/org/openscience/cdk/charges/
H A DGasteigerPEPEPartialChargesTest.java
H A DPolarizabilityTest.java
H A DStabilizationChargesTest.java
H A DAtomTypeChargesTest.java
H A DGasteigerMarsiliPartialChargesTest.java
H A DElectronegativityTest.java
H A DInductivePartialChargesTest.java
H A DPiElectronegativityTest.java
/dports/science/cdk/cdk-cdk-2.3/tool/charges/
H A Dpom.xml
/dports/science/dftbplus/dftbplus-19.1/prog/dftb+/lib_dftb/
H A Dcharges.F90
/dports/science/py-abipy/abipy-0.9.0/abipy/electrons/
H A Dcharges.py
/dports/net/storj/storj-1.45.3/satellite/payments/
H A Dcharges.go
/dports/science/openbabel/openbabel-3.1.1/src/charges/
H A Dqeq.cpp
H A Dqeq.h
H A Dqtpie.h

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