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David van der Spoel

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11/06/2019

07:58 PM GROMACS Bug #3176: Huge box dimensions in gro files
Old gromos87 was of course %10.5f%10.5f%10.5f. But that code is unlikely to be used still. New gromos software is in ...

10/18/2019

10:34 PM GROMACS Revision 38f95483: Fixed one test
Change-Id: I8346e8bc878ea14789cf97842db4eb1b08285dde

10/17/2019

03:30 PM GROMACS Revision 620c7781: Updated to OpenBabel3
Change-Id: I73f546a951793069e296c16db42e12c66b07f916

10/12/2019

10:14 PM GROMACS Revision c52aa903: Fixed bug initializing reverse name lookup
Change-Id: I5730b5cb5450a6a692810fdd1d47fe88c031c58e

10/10/2019

08:45 PM GROMACS Revision 67c44f4d: Removed spurious include
Change-Id: I0bdcb4e075f93d8fe03b98523bf8f75b73ef729c
08:40 PM GROMACS Revision b5ddc7dc: Merge branch 'alexandria' of ssh://gerrit.gromacs.org:29418/gromacs into alexandria
Change-Id: Ib86bda12c4d4b4310119f676d5db31bb9186be6a
08:40 PM GROMACS Revision 505b7f46: Fixed conflicts
Change-Id: I7f4a2ed48ba96b585d63903f0a4f9408e606db8c
08:40 PM GROMACS Revision 8fd2c83f: New test program.
Change-Id: I03e95eee4478ebe27939e2789237db91b1bf5cb8
08:04 PM GROMACS Revision 5b97d176: Renamed gauss2molprop to qm2molprop.
Added more checking when doing string conversions
to double, since e.g. Psi4 write more digits than a
double can cont...
01:42 PM GROMACS Revision 92ef5a70: Added code to read psi4 files.
Change-Id: I2c0ea8019fe10fc88aa69ef2efd64963f6875649

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