| commit | 0341a83058b0f3dd00cae675753486fc669ddbe8 | |
| author | David van der Spoel <spoel@anfinsen.bmc.uu.se> | |
| Thu, 21 Jan 2010 19:26:05 +0000 (21 20:26 +0100) | ||
| committer | David van der Spoel <spoel@anfinsen.bmc.uu.se> | |
| Thu, 21 Jan 2010 19:26:05 +0000 (21 20:26 +0100) | ||
| tree | eda80e516c5b1cc7d61687fa06235db192adbbb2 | treesnapshot (tar.gz zip) |
| parent | 14b0fe44c8bc5fc086e5aa7baa8f20634a3d7d43 | commitdiff |
Fixed erroneous implementation of calculation of Cp etc. in g_energy by
storing a true Enthalpy in the energy file (only when pressure coupling is
used though). Now the Cp and AlphaP should be correct.
storing a true Enthalpy in the energy file (only when pressure coupling is
used though). Now the Cp and AlphaP should be correct.
| include/mdebin.h | diffblobblamehistory | |
| src/mdlib/mdebin.c | diffblobblamehistory | |
| src/tools/gmx_energy.c | diffblobblamehistory |