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qmcpack/labs/lab2_qmc_basics/oxygen_atom/reference
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Paul Kent 6d052c0d26 Require Python3 2020-01-08 12:52:22 -05:00
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O.BFD.gamess labs: update atom reference files for basics lab 2016-05-27 17:19:05 +00:00
O.BFD.upf labs: update atom reference files for basics lab 2016-05-27 17:19:05 +00:00
O.BFD.xml labs: update atom reference files for basics lab 2016-05-27 17:19:05 +00:00
O.q0.dft.cobaltlog labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.dft.error labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.dft.in labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.dft.output labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.dft.qsub.in labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.dmc.cobaltlog labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.dmc.error labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.dmc.in.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.dmc.output labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.dmc.qsub.in labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.dmc.s000.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.dmc.s000.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.dmc.s001.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.dmc.s001.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.dmc.s002.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.dmc.s002.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.dmc.s003.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.dmc.s003.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.dmc.s004.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.dmc.s004.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.dmc.s005.cont.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.dmc.s005.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.dmc.s005.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.cobaltlog labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.error labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.in.xml labs: update atom reference files for basics lab 2016-05-27 17:19:05 +00:00
O.q0.opt.output labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.qsub.in labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s000.opt.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s000.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s000.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s001.opt.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s001.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s001.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s002.opt.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s002.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s002.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s003.opt.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s003.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s003.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s004.opt.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s004.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s004.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s005.opt.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s005.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s005.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s006.opt.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s006.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s006.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s007.opt.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s007.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s007.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s008.opt.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s008.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s008.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s009.opt.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s009.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s009.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s010.opt.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s010.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s010.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s011.cont.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s011.opt.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s011.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.opt.s011.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.p2q.cobaltlog labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.p2q.error labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.p2q.in labs: update atom reference files for basics lab 2016-05-27 17:19:05 +00:00
O.q0.p2q.output labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.p2q.qsub.in labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q0.ptcl.xml labs: update atom reference files for basics lab 2016-05-27 17:19:05 +00:00
O.q0.wfs.xml labs: update atom reference files for basics lab 2016-05-27 17:19:05 +00:00
O.q1.dft.cobaltlog labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.dft.error labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.dft.in labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.dft.output labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.dft.qsub.in labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.dmc.cobaltlog labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.dmc.error labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.dmc.in.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.dmc.output labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.dmc.qsub.in labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.dmc.s000.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.dmc.s000.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.dmc.s001.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.dmc.s001.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.dmc.s002.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.dmc.s002.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.dmc.s003.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.dmc.s003.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.dmc.s004.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.dmc.s004.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.dmc.s005.cont.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.dmc.s005.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.dmc.s005.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.cobaltlog labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.error labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.in.xml labs: update atom reference files for basics lab 2016-05-27 17:19:05 +00:00
O.q1.opt.output labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.qsub.in labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s000.opt.xml labs: update atom reference files for basics lab 2016-05-27 17:19:05 +00:00
O.q1.opt.s000.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s000.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s001.opt.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s001.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s001.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s002.opt.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s002.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s002.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s003.opt.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s003.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s003.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s004.opt.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s004.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s004.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s005.opt.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s005.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s005.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s006.opt.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s006.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s006.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s007.opt.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s007.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s007.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s008.opt.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s008.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s008.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s009.opt.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s009.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s009.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s010.opt.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s010.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s010.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s011.cont.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s011.opt.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s011.qmc.xml labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.opt.s011.scalar.dat labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.p2q.cobaltlog labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.p2q.error labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.p2q.in labs: update atom reference files for basics lab 2016-05-27 17:19:05 +00:00
O.q1.p2q.output labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.p2q.qsub.in labs: update atom reference files for basics lab 2016-06-06 21:18:51 +00:00
O.q1.ptcl.xml labs: update atom reference files for basics lab 2016-05-27 17:19:05 +00:00
O.q1.wfs.xml labs: update atom reference files for basics lab 2016-05-27 17:19:05 +00:00
ip_conv.py Require Python3 2020-01-08 12:52:22 -05:00
ppconv.cobaltlog labs: update atom reference files for basics lab 2016-05-27 17:19:05 +00:00
ppconv.error labs: update atom reference files for basics lab 2016-05-27 17:19:05 +00:00
ppconv.output labs: update atom reference files for basics lab 2016-05-27 17:19:05 +00:00
ppconv.qsub.in labs: update atom reference files for basics lab 2016-05-27 17:19:05 +00:00