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added entry about reading molecular structures from mol/sdf files Deploy Jekyll site to Pages #37: Commit 2c14faa pushed by aoterodelaroza
December 1, 2024 10:26 1m 12s master
master
December 1, 2024 10:26 1m 12s
clean up tabs, add seo, add google analytics Deploy Jekyll site to Pages #36: Commit b451a2f pushed by aoterodelaroza
November 26, 2024 18:44 1m 7s master
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November 26, 2024 18:44 1m 7s
upload google verification token Deploy Jekyll site to Pages #35: Commit f92efce pushed by aoterodelaroza
November 26, 2024 18:23 1m 37s master
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November 26, 2024 18:23 1m 37s
update manual re load as fft Deploy Jekyll site to Pages #34: Commit 6dea9d1 pushed by aoterodelaroza
November 6, 2024 12:09 1m 16s master
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November 6, 2024 12:09 1m 16s
update critic2 logo Deploy Jekyll site to Pages #33: Commit b24e637 pushed by aoterodelaroza
November 6, 2024 11:22 1m 44s master
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November 6, 2024 11:22 1m 44s
update critic2 logo Deploy Jekyll site to Pages #32: Commit 37abe91 pushed by aoterodelaroza
November 6, 2024 11:18 1m 20s master
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November 6, 2024 11:18 1m 20s
updated example_13_01 to using gpwdf Deploy Jekyll site to Pages #31: Commit ca83f5d pushed by aoterodelaroza
October 30, 2024 11:26 1m 3s master
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October 30, 2024 11:26 1m 3s
rewrite comparevc: two crystal structures Deploy Jekyll site to Pages #30: Commit 20eeb59 pushed by aoterodelaroza
October 30, 2024 10:17 1m 5s master
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October 30, 2024 10:17 1m 5s
rewrote COMPARE keyword in example 13_01 Deploy Jekyll site to Pages #29: Commit 3a0f6d1 pushed by aoterodelaroza
October 30, 2024 09:05 1m 18s master
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October 30, 2024 09:05 1m 18s
documented the xrpd keyword Deploy Jekyll site to Pages #28: Commit a63f4f8 pushed by aoterodelaroza
October 29, 2024 22:53 1m 11s master
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October 29, 2024 22:53 1m 11s
update manual re comparevc Deploy Jekyll site to Pages #27: Commit 412ae90 pushed by aoterodelaroza
October 27, 2024 22:58 1m 14s master
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October 27, 2024 22:58 1m 14s
update manual re COMPARE keyword Deploy Jekyll site to Pages #26: Commit ee64b53 pushed by aoterodelaroza
October 27, 2024 20:06 1m 36s master
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October 27, 2024 20:06 1m 36s
fix typo in manual Deploy Jekyll site to Pages #25: Commit 9b91cb4 pushed by aoterodelaroza
August 12, 2024 19:11 1m 15s master
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August 12, 2024 19:11 1m 15s
added line re orca output can be read Deploy Jekyll site to Pages #24: Commit 0c0d006 pushed by aoterodelaroza
August 7, 2024 07:21 1m 35s master
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August 7, 2024 07:21 1m 35s
documented edit/cellmove Deploy Jekyll site to Pages #23: Commit 761986f pushed by aoterodelaroza
July 23, 2024 09:37 1m 8s master
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July 23, 2024 09:37 1m 8s
document edit delete hydrogen Deploy Jekyll site to Pages #22: Commit 2cdf059 pushed by aoterodelaroza
July 17, 2024 10:08 1m 14s master
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July 17, 2024 10:08 1m 14s
documented EDIT/MOVE keyword Deploy Jekyll site to Pages #21: Commit 12f8f82 pushed by aoterodelaroza
July 16, 2024 21:39 1m 40s master
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July 16, 2024 21:39 1m 40s
added the EXTERNAL keyword to the d12 writer Deploy Jekyll site to Pages #20: Commit 413ee1d pushed by aoterodelaroza
July 3, 2024 10:58 1m 45s master
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July 3, 2024 10:58 1m 45s
bump to version 1.2 Deploy Jekyll site to Pages #19: Commit e60e62d pushed by aoterodelaroza
May 20, 2024 15:54 1m 36s master
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May 20, 2024 15:54 1m 36s
update example_11_01: remove core keyword Deploy Jekyll site to Pages #18: Commit f28fa3c pushed by aoterodelaroza
May 11, 2024 19:34 1m 6s master
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May 11, 2024 19:34 1m 6s
update example_08_01 with new zpsp syntax Deploy Jekyll site to Pages #17: Commit 55f4e19 pushed by aoterodelaroza
May 11, 2024 16:43 1m 7s master
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May 11, 2024 16:43 1m 7s
update dftb+ example to the new zpsp notation Deploy Jekyll site to Pages #16: Commit a258faa pushed by aoterodelaroza
May 11, 2024 10:00 1m 5s master
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May 11, 2024 10:00 1m 5s
fix link in dftb+ example Deploy Jekyll site to Pages #15: Commit 2dd1068 pushed by aoterodelaroza
May 11, 2024 09:47 1m 42s master
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May 11, 2024 09:47 1m 42s
document FPLO output & grid input in critic2 Deploy Jekyll site to Pages #14: Commit f832653 pushed by aoterodelaroza
May 2, 2024 06:31 1m 45s master
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May 2, 2024 06:31 1m 45s
update default bondfactor Deploy Jekyll site to Pages #13: Commit 7e3d5df pushed by aoterodelaroza
March 29, 2024 22:31 1m 15s master
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March 29, 2024 22:31 1m 15s