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update readme
Testing
#115:
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upversion
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v0.1.13
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add HeatCap to readme
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add HeatCap to readme
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add HeatCapacityThermalExpansionCrystalNPT__TD_167636467750_000 td
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fix typo
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update readme
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upversion
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remove bind-to option from mpirun
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remove bind-to option from mpirun
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add GibbsFreeEnergy
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specify openmpi build of lammps
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v0.1.11
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add NPTCrystalStructure
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add NPTCrystalStructure
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Revert "upversion and add retries to testing"
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add workflow_dispatch
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upgrade testing to aflow 4.1
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Refer to KDP in README
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