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Makefile
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missing modules added
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2005-03-30 21:36:04 +00:00 |
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band_plot.f90
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"configure" bug for pc cluster and intel 6
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2003-03-10 14:49:21 +00:00 |
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bs.awk
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Do not restart bfgs from previous results if restart_mode='from_scratch'
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2003-03-27 15:47:30 +00:00 |
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dist.f
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"matches" and "capital" are in flib now
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2004-08-17 20:03:12 +00:00 |
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dynmat.f90
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dynmat.x can read Raman results from phcg.x
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2005-02-24 18:12:04 +00:00 |
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ev.f
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Bad default for relativistic/nonrelativistic atomic calculation
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2005-02-03 09:07:42 +00:00 |
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fqha.f90
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Patches from Axel Kohlmayer:
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2004-10-26 09:32:48 +00:00 |
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kpoints.f
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First steps in USPP merge between CP and PW:
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2004-04-13 21:49:51 +00:00 |
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lambda.f90
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Check for negative frequencies added
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2005-04-18 16:44:03 +00:00 |
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matdyn.f90
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tetra should be integer (courtesy of Pascal Thibaudeau)
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2005-03-24 14:36:53 +00:00 |
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mv.awk
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*** empty log message ***
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2003-09-04 15:22:04 +00:00 |
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path_int.f90
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Implemented a new and cleaner way of rescaling the elastic constants. Some bugs
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2004-12-21 15:29:09 +00:00 |
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path_int.sh
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Fixed a serious bug in the path interpolator (spotted by Nicola Bonini)
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2004-02-27 10:33:02 +00:00 |
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pwi2xsf.f
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Compilation problems with SGI (Pascal Thibaudeau)
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2005-03-11 14:23:37 +00:00 |
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pwi2xsf.sh
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Fixing small bug for A,B,C,COSAB,COSAC,COSBC.
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2004-02-14 06:21:19 +00:00 |
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pwo2xsf.sh
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fixing bug for AWK test: "==" -> "=" in "if test"
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2004-02-28 12:35:57 +00:00 |
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q2r.f90
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Patches from Axel Kohlmayer:
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2004-10-26 09:32:48 +00:00 |
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rigid.f90
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When imposing hermiticity in matdyn.x and dynmat.x codes in pwtools
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2005-01-27 10:35:05 +00:00 |
4a81ed2cdc