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allow acat surrogate_metal specification CI Tests #419: Commit 0a0123c pushed by mjohnson541
April 4, 2024 16:55 2m 52s multi_lattice_constant_ts_len_pred
multi_lattice_constant_ts_len_pred
April 4, 2024 16:55 2m 52s
Pynta restart for NERSC and Polaris CI Tests #418: Pull request #43 opened by sakim8048
April 3, 2024 20:37 28m 14s pynta-restart
pynta-restart
April 3, 2024 20:37 28m 14s
delete unnecessary variables CI Tests #417: Commit b3016d2 pushed by sakim8048
April 3, 2024 19:23 34m 22s pynta-restart
pynta-restart
April 3, 2024 19:23 34m 22s
add pickle to pynta object CI Tests #416: Commit f61a7a8 pushed by sakim8048
April 3, 2024 19:17 2m 53s pynta-restart
pynta-restart
April 3, 2024 19:17 2m 53s
multi_launcher.py for parallel environment. Required for reset() CI Tests #415: Commit 8ef0994 pushed by sakim8048
April 3, 2024 19:05 2m 53s pynta-restart
pynta-restart
April 3, 2024 19:05 2m 53s
import module CI Tests #414: Commit 26a2cb6 pushed by sakim8048
April 3, 2024 19:00 2m 44s pynta-restart
pynta-restart
April 3, 2024 19:00 2m 44s
copyDataAndSave added in util. Function called in pyn.reset() CI Tests #413: Commit 2ceead7 pushed by sakim8048
April 3, 2024 18:54 1m 58s pynta-restart
pynta-restart
April 3, 2024 18:54 1m 58s
Contibutor acknowledgement: Restart design contribution by RHE CI Tests #412: Commit 598dc5b pushed by sakim8048
April 3, 2024 18:27 2m 54s pynta-restart
pynta-restart
April 3, 2024 18:27 2m 54s
add machine keyword and polaris mapping CI Tests #411: Commit a1b8967 pushed by sakim8048
April 3, 2024 17:59 3m 54s pynta-restart
pynta-restart
April 3, 2024 17:59 3m 54s
Merge pull request #34 from zadorlab/pbc_attribute CI Tests #410: Commit 92e8fdd pushed by sakim8048
April 3, 2024 15:57 33m 42s pynta-restart
pynta-restart
April 3, 2024 15:57 33m 42s
Merge pull request #34 from zadorlab/pbc_attribute CI Tests #409: Commit 92e8fdd pushed by mjohnson541
March 22, 2024 18:28 34m 4s master
master
March 22, 2024 18:28 34m 4s
Pbc attribute CI Tests #408: Pull request #34 synchronize by tdprice-858
March 22, 2024 17:32 33m 52s pbc_attribute
pbc_attribute
March 22, 2024 17:32 33m 52s
Added pbc's as a instance attribute of Pynta. Fixed few places in cod… CI Tests #407: Commit ec91f83 pushed by tdprice-858
March 22, 2024 17:32 28m 19s pbc_attribute
pbc_attribute
March 22, 2024 17:32 28m 19s
Merge pull request #42 from zadorlab/fix_build CI Tests #406: Commit 9d4d0b9 pushed by mjohnson541
March 20, 2024 23:49 34m 7s master
master
March 20, 2024 23:49 34m 7s
Fix CI tests CI Tests #405: Pull request #42 opened by mjohnson541
March 20, 2024 23:12 34m 37s fix_build
fix_build
March 20, 2024 23:12 34m 37s
avoid use of liblapack build 21_openblas CI Tests #404: Commit c71ecaf pushed by mjohnson541
March 20, 2024 23:10 32m 58s fix_build
fix_build
March 20, 2024 23:10 32m 58s
Merge pull request #41 from zadorlab/constraints_for_comparison CI Tests #403: Commit 656e6f2 pushed by mjohnson541
March 18, 2024 22:58 10m 54s master
master
March 18, 2024 22:58 10m 54s
Remove constraints before comparison CI Tests #402: Pull request #41 opened by tdprice-858
March 15, 2024 19:18 10m 43s constraints_for_comparison
constraints_for_comparison
March 15, 2024 19:18 10m 43s
Remove constraints before comparison CI Tests #401: Commit 2ac9f4e pushed by tdprice-858
March 15, 2024 19:18 10m 51s constraints_for_comparison
constraints_for_comparison
March 15, 2024 19:18 10m 51s
Merge pull request #37 from zadorlab/gas_vib_fix CI Tests #400: Commit 70ec637 pushed by tdprice-858
March 15, 2024 18:11 10m 48s constraints_for_comparison
constraints_for_comparison
March 15, 2024 18:11 10m 48s
Merge pull request #37 from zadorlab/gas_vib_fix CI Tests #399: Commit 70ec637 pushed by mjohnson541
March 15, 2024 18:10 10m 55s master
master
March 15, 2024 18:10 10m 55s
delete acat_tol and emt_metal CI Tests #398: Commit a75f684 pushed by sakim8048
March 6, 2024 23:38 9m 37s polaris-restart-fw
polaris-restart-fw
March 6, 2024 23:38 9m 37s
break Pynta so that it does not detect the uniqueness of adsorbates CI Tests #397: Commit 55e41ac pushed by mjohnson541
March 4, 2024 20:55 10m 54s scaling_test_break
scaling_test_break
March 4, 2024 20:55 10m 54s
Trevor's constrain issue command added CI Tests #396: Commit c234d10 pushed by sakim8048
March 4, 2024 07:01 11m 4s polaris-restart-fw
polaris-restart-fw
March 4, 2024 07:01 11m 4s
Try forcing xtb to be 6.4.1 CI Tests #395: Pull request #39 opened by mjohnson541
March 1, 2024 19:35 10m 51s mjohnson541-patch-1
mjohnson541-patch-1
March 1, 2024 19:35 10m 51s
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