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Mohammad Ghahremanpour

  • Registered on: 09/30/2016
  • Last connection: 03/05/2019

Issues

Activity

10/13/2019

05:21 PM GROMACS Revision 52eed6d8: refdata files added
Change-Id: Ib5f9c93960b0035e6bad7a6ad3f078accc65b96b
05:21 PM GROMACS Revision 651c3b1f: ACM-g_2019 and ACM_pg-2019 updated and the tests updated and more tests added for atomtypes. maxwarn can be zero in the command line for merge_mp so no hard coding is needed in molprop_util.cpp
Change-Id: I158078b54f3d036d4a1e4453e53afad0271c8b69

10/08/2019

03:14 PM GROMACS Revision 1ebb9d51: some very old files removed from the repository
Change-Id: I245fd8a3e822a701dfa89480af46b408f2cd1d60

10/06/2019

04:24 PM GROMACS Revision 40117bf6: mp2csv changed to molprop_csv.cpp
Change-Id: I3bdcba3b0aca6461ec78305bdd16355e355b81f1
04:18 PM GROMACS Revision a2b91e95: mp2csv changed to molprop_csv.cpp
Change-Id: Ie313f8c8f1d8193d9011eb9fb13596d6305c3f98
04:13 PM GROMACS Revision 8990b155: changing Alexandria program to Alexandria Chemistry Toolkit in the description of each .cpp and .h file
Change-Id: Id64481863ca9ce37d4f45fc893800427861f022d
02:05 PM GROMACS Revision 0fd0dae0: some cleaning for tune_zeta
Change-Id: I4f950ba79f0beb03617214aad2b20e93c0f83ccc
01:48 PM GROMACS Revision c1bf4f46: some cleaning in tune_eem
Change-Id: Ic2d3f74c48e8a7c8272a47642d365f6a992698bd
02:53 AM GROMACS Revision c64d05c9: n4 and om types added to eemprop in ACM_g and ACM_pg 2019
Change-Id: I1de935197744253a20072b2944bd7452cf61a824
02:36 AM GROMACS Revision ea753c43: broken tune_zeta came back
Change-Id: Ia441821bb6e55b0654471d456fdf215f06c2e082

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