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.gitignore
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now compiles but bug in the calculation of s2
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2018-01-28 11:16:22 +01:00 |
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adr.irp.f
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looks like now it works for natom > 16
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2018-01-29 00:10:47 +01:00 |
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adrfull_old
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now compiles but bug in the calculation of s2
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2018-01-28 11:16:22 +01:00 |
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adrnew.irp.f
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looks like now it works for natom > 16
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2018-01-29 00:10:47 +01:00 |
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analyse.irp.f
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looks like now it works for natom > 16
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2018-01-29 00:10:47 +01:00 |
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combin.irp.f
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moved all files to src
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2016-12-19 23:34:17 +01:00 |
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conv.irp.f
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looks like now it works for natom > 16
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2018-01-29 00:10:47 +01:00 |
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desort.irp.f
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looks like now it works for natom > 16
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2018-01-29 00:10:47 +01:00 |
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deter.irp.f
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moved all files to src
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2016-12-19 23:34:17 +01:00 |
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elem_diag.irp.f
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Added some improvements to printing by adding mpiid. Printing is now done only by the master.
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2020-03-16 14:00:26 +01:00 |
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ex1.c
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Added some improvements to printing by adding mpiid. Printing is now done only by the master.
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2020-03-16 14:00:26 +01:00 |
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extra_diag.irp.f
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Added warning for when the number of extradiagonal terms exceeds the max value.
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2020-03-17 10:44:50 +01:00 |
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foundet.irp.f
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Added some improvements to printing by adding mpiid. Printing is now done only by the master.
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2020-03-16 14:00:26 +01:00 |
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gamma.irp.f
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moved all files to src
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2016-12-19 23:34:17 +01:00 |
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get_dmat.c
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looks like now it works for natom > 16
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2018-01-29 00:10:47 +01:00 |
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get_dmat.h
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looks like now it works for natom > 16
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2018-01-29 00:10:47 +01:00 |
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get_ntot.c
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many new features:
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2018-01-29 16:21:56 +01:00 |
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get_ntot.h
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many new features:
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2018-01-29 16:21:56 +01:00 |
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get_s2_cyclic.c
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looks like now it works for natom > 16
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2018-01-29 00:10:47 +01:00 |
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get_s2_mov.c
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looks like now it works for natom > 16
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2018-01-29 00:10:47 +01:00 |
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get_s2.c
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Added some improvements to printing by adding mpiid. Printing is now done only by the master.
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2020-03-16 14:00:26 +01:00 |
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get_s2.h
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looks like now it works for natom > 16
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2018-01-29 00:10:47 +01:00 |
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get_val_iaa2.c
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now compiles but bug in the calculation of s2
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2018-01-28 11:16:22 +01:00 |
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get_val_iaa2.h
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now compiles but bug in the calculation of s2
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2018-01-28 11:16:22 +01:00 |
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getdet.irp.f
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Added some improvements to printing by adding mpiid. Printing is now done only by the master.
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2020-03-16 14:00:26 +01:00 |
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main.irp.f
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looks like now it works for natom > 16
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2018-01-29 00:10:47 +01:00 |
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natom.irp.f
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Added some improvements to printing by adding mpiid. Printing is now done only by the master.
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2020-03-16 14:00:26 +01:00 |
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natomax.irp.f
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looks like now it works for natom > 16
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2018-01-29 00:10:47 +01:00 |
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nnk.irp.f
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moved all files to src
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2016-12-19 23:34:17 +01:00 |
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nt1.irp.f
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Added some improvements to printing by adding mpiid. Printing is now done only by the master.
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2020-03-16 14:00:26 +01:00 |
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nt2.irp.f
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Added some improvements to printing by adding mpiid. Printing is now done only by the master.
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2020-03-16 14:00:26 +01:00 |
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prodcol.irp.f
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moved all files to src
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2016-12-19 23:34:17 +01:00 |
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prodval.irp.f
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moved all files to src
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2016-12-19 23:34:17 +01:00 |
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providdet.irp.f
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Added some improvements to printing by adding mpiid. Printing is now done only by the master.
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2020-03-16 14:00:26 +01:00 |
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provide_clust.irp.f
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many new features:
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2018-01-29 16:21:56 +01:00 |
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provide_mpiid.irp.f
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Added missing mpiid provider.
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2020-03-16 14:26:14 +01:00 |
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pstartend.irp.f
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moved all files to src
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2016-12-19 23:34:17 +01:00 |
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rank.irp.f
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moved all files to src
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2016-12-19 23:34:17 +01:00 |
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read2.c
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many new features:
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2018-01-29 16:21:56 +01:00 |
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read2.h
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many new features:
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2018-01-29 16:21:56 +01:00 |
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searchdet.irp.f
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looks like now it works for natom > 16
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2018-01-29 00:10:47 +01:00 |
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searchdetfull.irp.f
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looks like now it works for natom > 16
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2018-01-29 00:10:47 +01:00 |
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sort.irp.f
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looks like now it works for natom > 16
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2018-01-29 00:10:47 +01:00 |
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stimsyr.h
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Added some improvements to printing by adding mpiid. Printing is now done only by the master.
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2020-03-16 14:00:26 +01:00 |
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unit_FIL44.irp.f
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Added some improvements to printing by adding mpiid. Printing is now done only by the master.
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2020-03-16 14:00:26 +01:00 |
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unit_l1.irp.f
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Added some improvements to printing by adding mpiid. Printing is now done only by the master.
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2020-03-16 14:00:26 +01:00 |
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ylogic.irp.f
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moved all files to src
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2016-12-19 23:34:17 +01:00 |
