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Merge: bugfixes and improvements Python Package using Conda #1533: Pull request #481 synchronize by RagnarB83
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- DFTB: kpoint handling changed Python Package using Conda #1532: Commit eced46c pushed by RagnarB83
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Merge: bugfixes and improvements Python Package using Conda #1531: Pull request #481 synchronize by RagnarB83
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- Rewrite and restructuring of module_surface: new one is module_surf… Python Package using Conda #1530: Commit bc9cce1 pushed by RagnarB83
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Merge: bugfixes and improvements Python Package using Conda #1529: Pull request #481 synchronize by RagnarB83
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torchtheory: PBC Python Package using Conda #1528: Commit e953748 pushed by RagnarB83
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Merge: bugfixes and improvements Python Package using Conda #1527: Pull request #481 synchronize by RagnarB83
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Merge branch 'NEW' of https://github.com/RagnarB83/ash into NEW Python Package using Conda #1526: Commit 3b8ac5e pushed by RagnarB83
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Merge: bugfixes and improvements Python Package using Conda #1525: Pull request #481 synchronize by RagnarB83
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Merge pull request #484 from madhursharmaa/NEW Python Package using Conda #1524: Commit 9dea5d9 pushed by RagnarB83
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spin-density from orbital file using multiwfn Python Package using Conda #1523: Pull request #484 opened by madhursharmaa
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Merge: bugfixes and improvements Python Package using Conda #1522: Pull request #481 synchronize by RagnarB83
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-changes to periodic cell handling in optimizations: now theory.get_c… Python Package using Conda #1521: Commit d768b15 pushed by RagnarB83
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Merge: bugfixes and improvements Python Package using Conda #1520: Pull request #481 synchronize by RagnarB83
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macetheory: small fixes Python Package using Conda #1519: Commit 8387b49 pushed by RagnarB83
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Merge: bugfixes and improvements Python Package using Conda #1518: Pull request #481 synchronize by RagnarB83
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- pyscftheory: some namespacing fixes Python Package using Conda #1517: Commit 7e513d1 pushed by RagnarB83
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Merge: bugfixes and improvements Python Package using Conda #1516: Pull request #481 synchronize by RagnarB83
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- pyscf: small fix Python Package using Conda #1515: Commit a38288a pushed by RagnarB83
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Merge: bugfixes and improvements Python Package using Conda #1514: Pull request #481 synchronize by RagnarB83
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- DFTBTheory: enabled PBC Python Package using Conda #1513: Commit 70d24cf pushed by RagnarB83
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Merge: bugfixes and improvements Python Package using Conda #1512: Pull request #481 synchronize by RagnarB83
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- geomeTRICOptimizer: write PBC files at end of opt. PBC_format_optio… Python Package using Conda #1511: Commit 8b040ee pushed by RagnarB83
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Merge: bugfixes and improvements Python Package using Conda #1510: Pull request #481 synchronize by RagnarB83
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- CP2K: stress tensor true by default Python Package using Conda #1509: Commit a6fcfa4 pushed by RagnarB83
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